 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer05_STD_M11_def2SVPD.in
 Output=31_naproxen_conformer05_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-27282.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     27284.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer05_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:57:03 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer05_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.727796000000     -0.617339000000      0.237443000000
  C                                                -1.047841000000      0.762202000000      0.064823000000
  C                                                 0.627887000000     -0.997107000000      0.390677000000
  C                                                 1.641753000000     -0.071739000000      0.382480000000
  C                                                 1.312923000000      1.298898000000      0.205310000000
  C                                                 0.016715000000      1.701054000000      0.052033000000
  C                                                -1.782544000000     -1.552555000000      0.250244000000
  H                                                 0.857810000000     -2.048331000000      0.527327000000
  H                                                 2.108133000000      2.033573000000      0.183762000000
  H                                                -0.215213000000      2.749911000000     -0.085402000000
  C                                                 3.088117000000     -0.486534000000      0.541414000000
  C                                                 3.760195000000      0.119636000000      1.772964000000
  C                                                 3.907138000000     -0.206580000000     -0.726372000000
  H                                                 3.106030000000     -1.577976000000      0.640536000000
  H                                                 4.789633000000     -0.224249000000      1.852177000000
  H                                                 3.214668000000     -0.166664000000      2.672170000000
  H                                                 3.778918000000      1.207660000000      1.714101000000
  O                                                 5.045903000000      0.164513000000     -0.727103000000
  O                                                 3.268617000000     -0.457965000000     -1.892789000000
  H                                                 2.337352000000     -0.661890000000     -1.716441000000
  C                                                -3.089131000000     -1.160241000000      0.100164000000
  C                                                -3.400222000000      0.208007000000     -0.071750000000
  C                                                -2.391569000000      1.146742000000     -0.088108000000
  O                                                -4.667929000000      0.674281000000     -0.226734000000
  C                                                -5.743851000000     -0.249462000000     -0.217471000000
  H                                                -1.551187000000     -2.602541000000      0.381883000000
  H                                                -3.872302000000     -1.903057000000      0.114825000000
  H                                                -2.648333000000      2.189617000000     -0.220665000000
  H                                                -5.805340000000     -0.783207000000      0.735107000000
  H                                                -5.658506000000     -0.971988000000     -1.034008000000
  H                                                -6.645040000000      0.342621000000     -0.355471000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:57:04 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426660   0.000000
     3  C    1.416185   2.451410   0.000000
     4  C    2.435873   2.833775   1.372697   0.000000
     5  C    2.799559   2.425074   2.403180   1.420621   0.000000
     6  C    2.442052   1.419467   2.787164   2.427496   1.365789
     7  C    1.409711   2.435625   2.477584   3.733110   4.208886
     8  H    2.155439   3.427027   1.084716   2.131306   3.393341
     9  H    3.882359   3.404512   3.379196   2.165488   1.082853
    10  H    3.421307   2.160283   3.870092   3.410124   2.127240
    11  C    3.830235   4.346565   2.517169   1.513038   2.540088
    12  C    4.800315   5.142747   3.601276   2.541233   3.136453
    13  C    4.751871   5.110415   3.553339   2.525808   3.140772
    14  H    3.972849   4.802346   2.557544   2.116471   3.417756
    15  H    5.762283   6.184159   4.478105   3.477415   4.137591
    16  H    4.655537   5.082326   3.547715   2.779524   3.442369
    17  H    5.081497   5.120171   4.067118   2.824456   2.892388
    18  O    5.905696   6.173985   4.702941   3.588207   4.011404
    19  O    4.531512   4.894166   3.532470   2.823598   3.363529
    20  H    3.635214   4.081724   2.733969   2.288582   2.930405
    21  C    2.426827   2.804265   3.731921   4.862695   5.043461
    22  C    2.814011   2.420636   4.229870   5.070118   4.845672
    23  C    2.446652   1.406010   3.733957   4.239556   3.719208
    24  O    4.172336   3.632874   5.587522   6.382772   6.028880
    25  C    5.050058   4.812033   6.444212   7.412063   7.237004
    26  H    2.154034   3.416925   2.706632   4.074288   4.843091
    27  H    3.399415   3.883772   4.598754   5.816371   6.094855
    28  H    3.431811   2.163467   4.611135   4.886957   4.082448
    29  H    5.104570   5.046917   6.445991   7.489307   7.435423
    30  H    5.104338   5.047086   6.445859   7.490705   7.435970
    31  H    6.023856   5.628617   7.432838   8.329898   8.034807
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723250   0.000000
     8  H    3.871851   2.700748   0.000000
     9  H    2.121780   5.291701   4.282906   0.000000
    10  H    1.082950   4.591339   4.954790   2.446125   0.000000
    11  C    3.802439   4.994449   2.722807   2.727494   4.666847
    12  C    4.413177   5.986389   3.830866   2.986307   5.116223
    13  C    4.402314   5.927724   3.776534   3.013810   5.113263
    14  H    4.543373   4.904195   2.299683   3.774616   5.503476
    15  H    5.452344   6.893772   4.532299   3.882243   6.135823
    16  H    4.536562   5.723508   3.700784   3.501091   5.279649
    17  H    4.142473   6.378991   4.532415   2.411554   4.644333
    18  O    5.316083   7.108531   4.900040   3.599104   5.897067
    19  O    4.361028   5.595082   3.768052   3.444786   5.068943
    20  H    3.754512   4.651309   3.024195   3.305879   4.562484
    21  C    4.223222   1.372444   4.068110   6.100737   4.856246
    22  C    3.730948   2.412497   4.856006   5.808610   4.075015
    23  C    2.475224   2.787759   4.598447   4.594312   2.703088
    24  O    4.803942   3.675834   6.206047   6.923236   4.914763
    25  C    6.087796   4.196280   6.882774   8.186995   6.291226
    26  H    4.592172   1.083201   2.476201   5.909605   5.536418
    27  H    5.302642   2.123271   4.750287   7.160126   5.921529
    28  H    2.723149   3.869780   5.550922   4.776178   2.500460
    29  H    6.366668   4.124303   6.785372   8.417915   6.663759
    30  H    6.366535   4.124251   6.786653   8.416474   6.661968
    31  H    6.811048   5.253803   7.923935   8.931300   6.871001
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528348   0.000000
    13  C    1.535074   2.524815   0.000000
    14  H    1.096080   2.142945   2.095457   0.000000
    15  H    2.163804   1.088244   2.725440   2.476927   0.000000
    16  H    2.158345   1.090018   3.468601   2.476114   1.776575
    17  H    2.173176   1.089776   2.823548   3.060243   1.758116
    18  O    2.421967   2.811653   1.197705   2.944454   2.620972
    19  O    2.441053   3.743396   1.353304   2.774634   4.048813
    20  H    2.385856   3.848534   1.910961   2.642995   4.352039
    21  C    6.229525   7.165864   7.109178   6.232698   8.125303
    22  C    6.554151   7.394752   7.348328   6.784423   8.423898
    23  C    5.752464   6.508666   6.473992   6.178884   7.563993
    24  O    7.879961   8.679844   8.634659   8.139979   9.724953
    25  C    8.867681   9.717250   9.664492   8.990079  10.734913
    26  H    5.101576   6.128306   6.063182   4.775595   6.929938
    27  H    7.115894   8.068192   8.006581   7.005653   8.992547
    28  H    6.375689   7.023433   6.997978   6.931747   8.089917
    29  H    8.900512   9.663940   9.838732   8.947241  10.668352
    30  H    8.900620   9.888512   9.601148   8.943624  10.865210
    31  H    9.809498  10.623035  10.572968   9.988197  11.659623
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767778   0.000000
    18  O    3.875327   2.941578   0.000000
    19  O    4.574562   4.005542   2.214734   0.000000
    20  H    4.502759   4.164366   2.999663   0.969504   0.000000
    21  C    6.880428   7.441898   8.283606   6.699702   5.744138
    22  C    7.171209   7.465160   8.471624   6.945007   6.031707
    23  C    6.385457   6.428575   7.529215   6.153833   5.318394
    24  O    8.440745   8.683349   9.740060   8.188192   7.285502
    25  C    9.413392   9.825340  10.809713   9.169228   8.229389
    26  H    5.821708   6.685990   7.239339   5.744898   4.825953
    27  H    7.731767   8.412812   9.193371   7.557217   6.591952
    28  H    6.949485   6.783592   7.972377   6.694474   5.935107
    29  H    9.246236   9.837682  10.990255   9.452424   8.504601
    30  H    9.649742  10.068165  10.768946   8.983053   8.030917
    31  H   10.326656  10.662566  11.698204  10.064039   9.140276
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413660   0.000000
    23  C    2.417480   1.377996   0.000000
    24  O    2.442322   1.359600   2.329002   0.000000
    25  C    2.824526   2.392302   3.633719   1.418096   0.000000
    26  H    2.127173   3.394686   3.870950   4.563119   4.845063
    27  H    1.079513   2.171235   3.396325   2.718889   2.519423
    28  H    3.393933   2.124686   1.082168   2.524886   3.940983
    29  H    2.814800   2.723622   4.007021   2.084014   1.093650
    30  H    2.814866   2.723633   4.007071   2.084019   1.093645
    31  H    3.887247   3.259979   4.337062   2.008865   1.087082
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438888   0.000000
    28  H    4.952936   4.284931   0.000000
    29  H    4.640319   2.318502   4.440481   0.000000
    30  H    4.640422   2.318886   4.440542   1.785208   0.000000
    31  H    5.930009   3.598934   4.404910   1.778186   1.778162
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.46D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5217567           0.1966021           0.1926148
 Leave Link  202 at Thu Aug 12 21:57:04 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1131.8048366253 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:57:05 2021, MaxMem=  5368709120 cpu:               7.5 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.17D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   492   492   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 21:57:07 2021, MaxMem=  5368709120 cpu:               8.7 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:57:07 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer05_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:57:09 2021, MaxMem=  5368709120 cpu:               9.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.605837440663    
 DIIS: error= 5.81D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.605837440663     IErMin= 1 ErrMin= 5.81D-03
 ErrMax= 5.81D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-02 BMatP= 3.00D-02
 IDIUse=3 WtCom= 9.42D-01 WtEn= 5.81D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.315 Goal=   None    Shift=    0.000
 GapD=    0.315 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.45D-02 MaxDP=9.22D-01              OVMax= 2.19D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.34D-02    CP:  1.17D+00
 E= -766.636954282893     Delta-E=       -0.031116842230 Rises=F Damp=F
 DIIS: error= 9.17D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.636954282893     IErMin= 2 ErrMin= 9.17D-04
 ErrMax= 9.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-03 BMatP= 3.00D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.17D-03
 Coeff-Com: -0.508D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.503D-02 0.101D+01
 Gap=     0.318 Goal=   None    Shift=    0.000
 RMSDP=3.15D-03 MaxDP=1.88D-01 DE=-3.11D-02 OVMax= 1.12D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.45D-03    CP:  1.23D+00  1.13D+00
 E= -766.638076568297     Delta-E=       -0.001122285404 Rises=F Damp=F
 DIIS: error= 9.23D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.638076568297     IErMin= 2 ErrMin= 9.17D-04
 ErrMax= 9.23D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-03 BMatP= 1.52D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.23D-03
 Coeff-Com: -0.621D-01 0.492D+00 0.570D+00
 Coeff-En:   0.000D+00 0.428D-01 0.957D+00
 Coeff:     -0.616D-01 0.488D+00 0.574D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=3.47D-04 MaxDP=2.27D-02 DE=-1.12D-03 OVMax= 4.48D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.94D-04    CP:  1.24D+00  1.15D+00  1.06D+00
 E= -766.638902032950     Delta-E=       -0.000825464653 Rises=F Damp=F
 DIIS: error= 1.67D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.638902032950     IErMin= 4 ErrMin= 1.67D-04
 ErrMax= 1.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.61D-05 BMatP= 1.24D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.67D-03
 Coeff-Com: -0.147D-01 0.362D-01 0.145D+00 0.834D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.146D-01 0.361D-01 0.145D+00 0.834D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=1.26D-04 MaxDP=5.87D-03 DE=-8.25D-04 OVMax= 1.51D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.18D-04    CP:  1.24D+00  1.15D+00  1.08D+00  1.07D+00
 E= -766.638941593337     Delta-E=       -0.000039560387 Rises=F Damp=F
 DIIS: error= 6.92D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.638941593337     IErMin= 5 ErrMin= 6.92D-05
 ErrMax= 6.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.04D-06 BMatP= 3.61D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.148D-02-0.377D-01-0.165D-01 0.295D+00 0.758D+00
 Coeff:      0.148D-02-0.377D-01-0.165D-01 0.295D+00 0.758D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=4.50D-05 MaxDP=2.18D-03 DE=-3.96D-05 OVMax= 7.43D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.28D-05    CP:  1.24D+00  1.15D+00  1.09D+00  1.12D+00  1.09D+00
 E= -766.638948434403     Delta-E=       -0.000006841067 Rises=F Damp=F
 DIIS: error= 3.26D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.638948434403     IErMin= 6 ErrMin= 3.26D-05
 ErrMax= 3.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-06 BMatP= 6.04D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.229D-02-0.217D-01-0.247D-01 0.514D-01 0.353D+00 0.640D+00
 Coeff:      0.229D-02-0.217D-01-0.247D-01 0.514D-01 0.353D+00 0.640D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=1.37D-05 MaxDP=6.03D-04 DE=-6.84D-06 OVMax= 3.13D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.29D-06    CP:  1.24D+00  1.15D+00  1.09D+00  1.13D+00  1.14D+00
                    CP:  1.17D+00
 E= -766.638949693690     Delta-E=       -0.000001259286 Rises=F Damp=F
 DIIS: error= 9.60D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.638949693690     IErMin= 7 ErrMin= 9.60D-06
 ErrMax= 9.60D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-07 BMatP= 1.18D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.442D-03-0.165D-03-0.500D-02-0.360D-01-0.267D-01 0.186D+00
 Coeff-Com:  0.881D+00
 Coeff:      0.442D-03-0.165D-03-0.500D-02-0.360D-01-0.267D-01 0.186D+00
 Coeff:      0.881D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=8.81D-06 MaxDP=3.26D-04 DE=-1.26D-06 OVMax= 2.19D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.73D-06    CP:  1.24D+00  1.15D+00  1.09D+00  1.13D+00  1.18D+00
                    CP:  1.27D+00  1.39D+00
 E= -766.638949951952     Delta-E=       -0.000000258262 Rises=F Damp=F
 DIIS: error= 4.14D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.638949951952     IErMin= 8 ErrMin= 4.14D-06
 ErrMax= 4.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-08 BMatP= 1.07D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.206D-03 0.295D-02 0.237D-02-0.155D-01-0.544D-01-0.530D-01
 Coeff-Com:  0.203D+00 0.915D+00
 Coeff:     -0.206D-03 0.295D-02 0.237D-02-0.155D-01-0.544D-01-0.530D-01
 Coeff:      0.203D+00 0.915D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=3.28D-06 MaxDP=1.11D-04 DE=-2.58D-07 OVMax= 1.11D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.74D-06    CP:  1.24D+00  1.15D+00  1.09D+00  1.13D+00  1.19D+00
                    CP:  1.33D+00  1.50D+00  1.26D+00
 E= -766.638949994242     Delta-E=       -0.000000042290 Rises=F Damp=F
 DIIS: error= 1.86D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.638949994242     IErMin= 9 ErrMin= 1.86D-06
 ErrMax= 1.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-09 BMatP= 1.49D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.137D-03 0.116D-02 0.169D-02-0.955D-03-0.171D-01-0.500D-01
 Coeff-Com: -0.497D-01 0.382D+00 0.733D+00
 Coeff:     -0.137D-03 0.116D-02 0.169D-02-0.955D-03-0.171D-01-0.500D-01
 Coeff:     -0.497D-01 0.382D+00 0.733D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=1.17D-06 MaxDP=3.55D-05 DE=-4.23D-08 OVMax= 4.02D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.48D-07    CP:  1.24D+00  1.15D+00  1.09D+00  1.13D+00  1.19D+00
                    CP:  1.34D+00  1.56D+00  1.34D+00  1.23D+00
 E= -766.638950001108     Delta-E=       -0.000000006866 Rises=F Damp=F
 DIIS: error= 5.08D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.638950001108     IErMin=10 ErrMin= 5.08D-07
 ErrMax= 5.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.96D-10 BMatP= 3.52D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.220D-05-0.178D-03 0.352D-04 0.209D-02 0.463D-02-0.154D-02
 Coeff-Com: -0.399D-01-0.710D-01 0.129D+00 0.977D+00
 Coeff:     -0.220D-05-0.178D-03 0.352D-04 0.209D-02 0.463D-02-0.154D-02
 Coeff:     -0.399D-01-0.710D-01 0.129D+00 0.977D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=5.44D-07 MaxDP=1.67D-05 DE=-6.87D-09 OVMax= 1.95D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.14D-07    CP:  1.24D+00  1.15D+00  1.09D+00  1.13D+00  1.19D+00
                    CP:  1.34D+00  1.58D+00  1.40D+00  1.37D+00  1.31D+00
 E= -766.638950002247     Delta-E=       -0.000000001138 Rises=F Damp=F
 DIIS: error= 1.85D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.638950002247     IErMin=11 ErrMin= 1.85D-07
 ErrMax= 1.85D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.60D-11 BMatP= 2.96D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.186D-04-0.226D-03-0.226D-03 0.877D-03 0.391D-02 0.637D-02
 Coeff-Com: -0.714D-02-0.747D-01-0.571D-01 0.330D+00 0.798D+00
 Coeff:      0.186D-04-0.226D-03-0.226D-03 0.877D-03 0.391D-02 0.637D-02
 Coeff:     -0.714D-02-0.747D-01-0.571D-01 0.330D+00 0.798D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=2.26D-07 MaxDP=9.95D-06 DE=-1.14D-09 OVMax= 5.76D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.32D-07    CP:  1.24D+00  1.15D+00  1.09D+00  1.13D+00  1.19D+00
                    CP:  1.34D+00  1.57D+00  1.41D+00  1.43D+00  1.40D+00
                    CP:  1.25D+00
 E= -766.638950002281     Delta-E=       -0.000000000034 Rises=F Damp=F
 DIIS: error= 7.82D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -766.638950002281     IErMin=12 ErrMin= 7.82D-08
 ErrMax= 7.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.37D-12 BMatP= 5.60D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.490D-05-0.341D-04-0.622D-04-0.473D-04 0.328D-03 0.195D-02
 Coeff-Com:  0.355D-02-0.916D-02-0.338D-01-0.456D-01 0.208D+00 0.875D+00
 Coeff:      0.490D-05-0.341D-04-0.622D-04-0.473D-04 0.328D-03 0.195D-02
 Coeff:      0.355D-02-0.916D-02-0.338D-01-0.456D-01 0.208D+00 0.875D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=8.86D-08 MaxDP=4.97D-06 DE=-3.43D-11 OVMax= 2.67D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  4.14D-08    CP:  1.24D+00  1.15D+00  1.09D+00  1.13D+00  1.19D+00
                    CP:  1.34D+00  1.57D+00  1.41D+00  1.45D+00  1.45D+00
                    CP:  1.34D+00  1.15D+00
 E= -766.638950002338     Delta-E=       -0.000000000057 Rises=F Damp=F
 DIIS: error= 5.11D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -766.638950002338     IErMin=13 ErrMin= 5.11D-08
 ErrMax= 5.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-12 BMatP= 6.37D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.748D-06 0.178D-04 0.921D-05-0.122D-03-0.405D-03-0.149D-03
 Coeff-Com:  0.191D-02 0.686D-02-0.389D-02-0.562D-01-0.435D-01 0.277D+00
 Coeff-Com:  0.819D+00
 Coeff:     -0.748D-06 0.178D-04 0.921D-05-0.122D-03-0.405D-03-0.149D-03
 Coeff:      0.191D-02 0.686D-02-0.389D-02-0.562D-01-0.435D-01 0.277D+00
 Coeff:      0.819D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=3.21D-08 MaxDP=1.57D-06 DE=-5.68D-11 OVMax= 1.32D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.02D-08    CP:  1.24D+00  1.15D+00  1.09D+00  1.13D+00  1.19D+00
                    CP:  1.34D+00  1.57D+00  1.41D+00  1.45D+00  1.45D+00
                    CP:  1.38D+00  1.24D+00  1.20D+00
 E= -766.638950002325     Delta-E=        0.000000000012 Rises=F Damp=F
 DIIS: error= 2.20D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -766.638950002338     IErMin=14 ErrMin= 2.20D-08
 ErrMax= 2.20D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.51D-13 BMatP= 1.29D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.109D-05 0.103D-04 0.143D-04-0.173D-04-0.157D-03-0.400D-03
 Coeff-Com: -0.334D-03 0.330D-02 0.587D-02-0.149D-02-0.532D-01-0.122D+00
 Coeff-Com:  0.182D+00 0.987D+00
 Coeff:     -0.109D-05 0.103D-04 0.143D-04-0.173D-04-0.157D-03-0.400D-03
 Coeff:     -0.334D-03 0.330D-02 0.587D-02-0.149D-02-0.532D-01-0.122D+00
 Coeff:      0.182D+00 0.987D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=1.70D-08 MaxDP=6.06D-07 DE= 1.23D-11 OVMax= 8.85D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  1.11D-08    CP:  1.24D+00  1.15D+00  1.09D+00  1.13D+00  1.19D+00
                    CP:  1.34D+00  1.57D+00  1.41D+00  1.45D+00  1.45D+00
                    CP:  1.39D+00  1.27D+00  1.41D+00  1.29D+00
 E= -766.638950002375     Delta-E=       -0.000000000050 Rises=F Damp=F
 DIIS: error= 1.23D-08 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -766.638950002375     IErMin=15 ErrMin= 1.23D-08
 ErrMax= 1.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.66D-14 BMatP= 2.51D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.167D-07-0.241D-05 0.281D-06 0.248D-04 0.691D-04-0.358D-04
 Coeff-Com: -0.523D-03-0.112D-02 0.202D-02 0.140D-01-0.232D-04-0.949D-01
 Coeff-Com: -0.167D+00 0.214D+00 0.103D+01
 Coeff:     -0.167D-07-0.241D-05 0.281D-06 0.248D-04 0.691D-04-0.358D-04
 Coeff:     -0.523D-03-0.112D-02 0.202D-02 0.140D-01-0.232D-04-0.949D-01
 Coeff:     -0.167D+00 0.214D+00 0.103D+01
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=1.10D-08 MaxDP=4.20D-07 DE=-5.00D-11 OVMax= 5.72D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  4.01D-09    CP:  1.24D+00  1.15D+00  1.09D+00  1.13D+00  1.19D+00
                    CP:  1.34D+00  1.57D+00  1.41D+00  1.45D+00  1.45D+00
                    CP:  1.39D+00  1.29D+00  1.51D+00  1.57D+00  1.29D+00
 E= -766.638950002339     Delta-E=        0.000000000036 Rises=F Damp=F
 DIIS: error= 4.44D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=15 EnMin= -766.638950002375     IErMin=16 ErrMin= 4.44D-09
 ErrMax= 4.44D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.48D-15 BMatP= 5.66D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.236D-06-0.301D-05-0.320D-05 0.120D-04 0.600D-04 0.804D-04
 Coeff-Com: -0.810D-04-0.115D-02-0.643D-03 0.487D-02 0.121D-01-0.297D-02
 Coeff-Com: -0.859D-01-0.138D+00 0.269D+00 0.943D+00
 Coeff:      0.236D-06-0.301D-05-0.320D-05 0.120D-04 0.600D-04 0.804D-04
 Coeff:     -0.810D-04-0.115D-02-0.643D-03 0.487D-02 0.121D-01-0.297D-02
 Coeff:     -0.859D-01-0.138D+00 0.269D+00 0.943D+00
 Gap=     0.317 Goal=   None    Shift=    0.000
 RMSDP=5.26D-09 MaxDP=1.95D-07 DE= 3.64D-11 OVMax= 2.05D-07

 SCF Done:  E(RM11) =  -766.638950002     A.U. after   16 cycles
            NFock= 16  Conv=0.53D-08     -V/T= 2.0115
 KE= 7.579177587263D+02 PE=-4.044820510861D+03 EE= 1.388458965507D+03
 Leave Link  502 at Thu Aug 12 22:12:06 2021, MaxMem=  5368709120 cpu:            7171.8 elap:             896.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.58440361D+02

 Leave Link  801 at Thu Aug 12 22:12:06 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9498 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 4.74D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 1.91D-01 9.03D-02.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 4.53D-02 1.18D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 6.42D-03 3.44D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.22D-03 9.45D-03.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 1.61D-04 2.27D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 1.16D-05 5.81D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 6.60D-07 1.21D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 3.19D-08 2.49D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 1.08D-09 4.52D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 3.17D-11 5.91D-07.
      8 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 1.45D-12 1.21D-07.
      7 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 9.54D-14 2.83D-08.
      2 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 6.30D-14 1.36D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.14D-13
 Solved reduced A of dimension   138 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.303944D+03
      2  0.140431D+02  0.166421D+03
      3  0.116225D+02 -0.379353D+01  0.119136D+03
 Isotropic polarizability for W=    0.088559      196.50 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.332165D+03 -0.753108D+01 -0.470584D+02
      2   0.134771D+03  0.143353D+02 -0.609553D+01
      3   0.197394D+03 -0.680423D+01  0.531539D+02
      4  -0.145446D+02 -0.137936D+03  0.215654D+02
      5   0.312265D+02  0.204490D+02  0.639846D+02
      6   0.514057D+01  0.446621D+02 -0.234525D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.790477D+01  0.268247D+02  0.613230D+01
      2  -0.459825D+02  0.983082D+01  0.267891D+02
      3   0.897791D+01  0.570942D+02 -0.705492D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.111638D+01  0.507576D+02  0.166483D+02
      2  -0.782848D+02  0.164248D+02 -0.133410D+03
      3  -0.701347D+01  0.272707D+03 -0.153085D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.110885D+01  0.134855D+01 -0.257320D+01
      2   0.134855D+01 -0.337364D+01 -0.355863D+01
      3  -0.257320D+01 -0.355863D+01 -0.286409D+01
 OR G Eigenvalues:    -6.7730    -1.9883     3.6324  Iso=     1.7096
 Eigenvectors:
   (1)   0.111969   0.697016   0.708259
   (2)   0.652510  -0.589124   0.476617
   (3)   0.749462   0.408780  -0.520774
 w=    0.088559 a.u., Optical Rotation Beta=      1.7096 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      376.49 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 8.17D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.42D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 3.77D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 5.46D-02 5.51D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 7.19D-03 1.85D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.47D-04 2.25D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 5.85D-06 2.72D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 1.50D-07 4.74D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 2.54D-09 5.58D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 4.00D-11 6.20D-07.
     30 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 6.03D-13 7.74D-08.
     11 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 4.68D-14 1.67D-08.
      2 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 1.15D-14 7.19D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   283 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.65D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.65D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.41D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.303944D+03  0.140431D+02  0.116225D+02
      2   0.140431D+02  0.166421D+03 -0.379353D+01
      3   0.116225D+02 -0.379353D+01  0.119136D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.790477D+01  0.268247D+02  0.613230D+01
      2  -0.459825D+02  0.983082D+01  0.267891D+02
      3   0.897791D+01  0.570942D+02 -0.705492D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.332165D+03 -0.753108D+01 -0.470584D+02
      2   0.134771D+03  0.143353D+02 -0.609553D+01
      3   0.197394D+03 -0.680423D+01  0.531539D+02
      4  -0.145446D+02 -0.137936D+03  0.215654D+02
      5   0.312265D+02  0.204490D+02  0.639846D+02
      6   0.514057D+01  0.446621D+02 -0.234525D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.383610D+02  0.767942D+01  0.166423D+01 -0.485906D+02 -0.491576D+01
      2   0.767942D+01  0.350816D+01  0.239207D+00 -0.491576D+01 -0.579802D+01
      3   0.166423D+01  0.239207D+00 -0.394113D+00 -0.276319D+01  0.173783D+00
                 6             7             8             9            10 
      1  -0.276319D+01  0.775526D+01  0.123432D+01  0.177750D+01 -0.294226D+02
      2   0.173783D+00  0.123432D+01  0.648157D+00 -0.938062D+00 -0.528998D+01
      3  -0.114676D+00  0.177750D+01 -0.938062D+00  0.411522D+00 -0.120205D+01
                11            12            13            14            15 
      1  -0.528998D+01 -0.120205D+01  0.527255D+02  0.608535D+01  0.307399D+01
      2  -0.748985D+00 -0.244969D+00  0.608535D+01  0.672406D+01 -0.104002D+00
      3  -0.244969D+00 -0.219104D+00  0.307399D+01 -0.104002D+00 -0.267643D-01
                16            17            18            19            20 
      1  -0.786985D+01 -0.117513D+01 -0.101721D+01 -0.500337D+02 -0.978838D+01
      2  -0.117513D+01 -0.581638D+00  0.921674D+00 -0.978838D+01 -0.944885D+01
      3  -0.101721D+01  0.921674D+00 -0.195280D+00 -0.167732D+01  0.394266D+00
                21            22            23            24            25 
      1  -0.167732D+01 -0.142035D+02 -0.182673D+01  0.139926D+00 -0.235954D+01
      2   0.394266D+00 -0.182673D+01 -0.436594D+01 -0.575940D+00  0.291558D+00
      3  -0.569787D+00  0.139926D+00 -0.575940D+00 -0.209329D+01  0.472972D+00
                26            27            28            29            30 
      1   0.291558D+00  0.472972D+00  0.468758D+02  0.405831D+01  0.138661D+01
      2  -0.117122D+01 -0.365255D+01  0.405831D+01  0.565476D+01  0.753025D-01
      3  -0.365255D+01  0.118806D+01  0.138661D+01  0.753025D-01  0.234834D+01
                31            32            33            34            35 
      1   0.362533D+01  0.342680D+01  0.585175D+00  0.820539D+00  0.629042D+00
      2   0.342680D+01  0.143607D+02 -0.696837D+00  0.629042D+00 -0.321844D+00
      3   0.585175D+00 -0.696837D+00  0.339097D+00  0.613681D+01  0.774857D+00
                36            37            38            39            40 
      1   0.613681D+01  0.991778D+01 -0.162608D+01  0.367602D+00  0.609134D+01
      2   0.774857D+00 -0.162608D+01  0.113413D+02 -0.937594D+00  0.832537D+00
      3   0.668313D+00  0.367602D+00 -0.937594D+00  0.201943D+01  0.439563D+00
                41            42            43            44            45 
      1   0.832537D+00  0.439563D+00  0.260087D+00  0.216235D+00  0.451223D+01
      2  -0.919343D+01  0.113132D+01  0.216235D+00  0.233189D+01  0.152325D+01
      3   0.113132D+01  0.945909D+00  0.451223D+01  0.152325D+01  0.685461D+00
                46            47            48            49            50 
      1  -0.146111D+02  0.225635D+01 -0.132065D+01  0.106624D+01  0.196553D+01
      2   0.225635D+01 -0.826610D+01  0.226247D+00  0.196553D+01  0.172087D+00
      3  -0.132065D+01  0.226247D+00 -0.123803D+01 -0.308900D+00  0.802055D+00
                51            52            53            54            55 
      1  -0.308900D+00 -0.128159D+01 -0.644908D+00 -0.929828D+00  0.384705D+01
      2   0.802055D+00 -0.644908D+00  0.171786D+00  0.405046D+01 -0.362864D+01
      3   0.155231D+01 -0.929828D+00  0.405046D+01 -0.120939D+01  0.615199D+00
                56            57            58            59            60 
      1  -0.362864D+01  0.615199D+00 -0.268699D+01 -0.349326D+01  0.332578D+00
      2   0.583109D+01 -0.465893D+00 -0.349326D+01 -0.168781D+01 -0.662336D+00
      3  -0.465893D+00  0.172490D+01  0.332578D+00 -0.662336D+00 -0.149247D+01
                61            62            63            64            65 
      1   0.697793D+00  0.438424D+00 -0.206978D+00  0.545511D+00 -0.201873D+01
      2   0.438424D+00 -0.132607D+00 -0.388316D+01 -0.201873D+01  0.992488D+00
      3  -0.206978D+00 -0.388316D+01  0.120131D+01  0.298775D+00 -0.284083D+00
                66            67            68            69            70 
      1   0.298775D+00 -0.210520D+01  0.259090D+01 -0.436454D+00  0.399270D+00
      2  -0.284083D+00  0.259090D+01 -0.772485D+01  0.106430D+01 -0.554010D+00
      3   0.165721D+00 -0.436454D+00  0.106430D+01 -0.102716D+01  0.538450D-01
                71            72            73            74            75 
      1  -0.554010D+00  0.538450D-01  0.740787D+01  0.315491D+01  0.377170D+00
      2   0.984741D+00 -0.312366D+00  0.315491D+01  0.278004D+01 -0.249554D-01
      3  -0.312366D+00  0.246156D+00  0.377170D+00 -0.249554D-01  0.693415D+00
                76            77            78            79            80 
      1   0.414695D+01  0.414017D+01 -0.134594D+00  0.332496D+00 -0.364198D+00
      2   0.414017D+01  0.426147D+01  0.168893D-01 -0.364198D+00 -0.236830D+00
      3  -0.134594D+00  0.168893D-01  0.644943D+00 -0.166729D+00  0.341482D+00
                81            82            83            84            85 
      1  -0.166729D+00 -0.747487D+00  0.140756D+01 -0.209986D+00  0.579696D+00
      2   0.341482D+00  0.140756D+01 -0.150210D+01  0.262392D+00 -0.657737D+00
      3  -0.126037D+00 -0.209986D+00  0.262392D+00 -0.187382D+00  0.465899D-01
                86            87            88            89            90 
      1  -0.657737D+00  0.465899D-01 -0.217450D+00  0.244176D+00  0.850426D-01
      2   0.107570D+02 -0.101241D+01  0.244176D+00 -0.124063D+01  0.385376D+00
      3  -0.101241D+01  0.106723D+01  0.850426D-01  0.385376D+00 -0.192105D+00
                91            92            93            94            95 
      1  -0.156126D+02 -0.189910D+01  0.106391D+00 -0.778421D+00 -0.254089D+00
      2  -0.189910D+01  0.381685D+00 -0.562404D+00 -0.254089D+00  0.498799D+01
      3   0.106391D+00 -0.562404D+00 -0.348536D+01 -0.193791D+01 -0.903494D+00
                96            97            98            99           100 
      1  -0.193791D+01 -0.581569D-01 -0.142394D+01 -0.752786D+01 -0.570866D+01
      2  -0.903494D+00 -0.142394D+01 -0.534732D+00 -0.965179D+00  0.276340D+01
      3  -0.930915D+00 -0.752786D+01 -0.965179D+00  0.381118D+00 -0.140892D+01
               101           102           103           104           105 
      1   0.276340D+01 -0.140892D+01  0.700692D+01 -0.162832D+00  0.166661D+01
      2  -0.543043D+00  0.285605D+00 -0.162832D+00 -0.473464D+01 -0.518076D-01
      3   0.285605D+00  0.367532D+01  0.166661D+01 -0.518076D-01  0.266707D+01
               106           107           108           109           110 
      1   0.393643D+01  0.104239D+01  0.530403D+01 -0.632953D+01 -0.140988D+01
      2   0.104239D+01  0.449249D+00  0.201849D+01 -0.140988D+01 -0.419458D+00
      3   0.530403D+01  0.201849D+01 -0.625960D+00 -0.750998D-01  0.336862D+00
               111           112           113           114           115 
      1  -0.750998D-01 -0.177150D+01 -0.174424D+00  0.108884D+01 -0.633344D+01
      2   0.336862D+00 -0.174424D+00 -0.990007D+00 -0.170231D+00  0.565416D+00
      3   0.903513D+00  0.108884D+01 -0.170231D+00  0.425438D+00  0.398931D+01
               116           117           118           119           120 
      1   0.565416D+00  0.398931D+01 -0.147554D+01 -0.114875D+01  0.714209D-01
      2  -0.770577D+00  0.258071D+00 -0.114875D+01  0.447032D+00 -0.355250D-01
      3   0.258071D+00 -0.110909D+01  0.714209D-01 -0.355250D-01  0.714622D+00
               121           122           123           124           125 
      1  -0.264744D+01  0.172577D+01 -0.364458D-01 -0.197132D+00 -0.773100D-01
      2   0.172577D+01 -0.668205D+01  0.798775D+00 -0.773100D-01  0.642525D+00
      3  -0.364458D-01  0.798775D+00 -0.152245D+01  0.116317D+01 -0.100795D+01
               126           127           128           129           130 
      1   0.116317D+01  0.137984D+02 -0.164176D+01  0.323055D+01 -0.361103D+01
      2  -0.100795D+01 -0.164176D+01  0.127099D+01 -0.251001D+00  0.174115D+01
      3   0.647312D+00  0.323055D+01 -0.251001D+00  0.198934D+01 -0.110455D+01
               131           132           133           134           135 
      1   0.174115D+01 -0.110455D+01  0.140675D+01 -0.356639D+00  0.134519D+01
      2  -0.527195D+00  0.426291D+00 -0.356639D+00 -0.268811D-01 -0.554188D+00
      3   0.426291D+00 -0.111136D+01  0.134519D+01 -0.554188D+00  0.666904D+00
               136           137           138           139           140 
      1  -0.776462D+00 -0.451343D+00  0.107145D+01 -0.116037D+01 -0.451234D-01
      2  -0.451343D+00 -0.477069D+00  0.167395D+00 -0.451234D-01 -0.181450D+00
      3   0.107145D+01  0.167395D+00 -0.320188D+01 -0.247517D+00  0.119295D+01
               141           142           143           144           145 
      1  -0.247517D+00  0.708267D+00 -0.747924D-01 -0.584106D+00  0.878847D+00
      2   0.119295D+01 -0.747924D-01  0.967423D+00 -0.910334D+00  0.925318D+00
      3  -0.186467D+01 -0.584106D+00 -0.910334D+00  0.758620D+01  0.294323D-01
               146           147           148           149           150 
      1   0.925318D+00  0.294323D-01  0.240646D+01  0.122849D+01  0.903442D+00
      2   0.446857D+00  0.832956D-01  0.122849D+01  0.644758D+01  0.113374D+01
      3   0.832956D-01 -0.379597D+00  0.903442D+00  0.113374D+01  0.170514D+01
               151           152           153           154           155 
      1  -0.648033D+00  0.171134D+00 -0.330766D+00  0.197990D+02  0.222310D+01
      2   0.171134D+00  0.702864D-01  0.736081D+00  0.222310D+01  0.185225D+01
      3  -0.330766D+00  0.736081D+00  0.212657D+00 -0.119446D+01 -0.130807D-01
               156           157           158           159           160 
      1  -0.119446D+01  0.447401D+01  0.402768D+01 -0.622447D+00 -0.219169D+01
      2  -0.130807D-01  0.402768D+01  0.212597D+01 -0.265265D+00 -0.437037D+00
      3   0.301133D+01 -0.622447D+00 -0.265265D+00  0.837056D+00  0.283867D+01
               161           162           163           164           165 
      1  -0.437037D+00  0.283867D+01  0.106471D+02  0.760435D-01 -0.367347D+01
      2   0.225366D+00  0.678866D+00  0.760435D-01 -0.967980D-03  0.400559D+00
      3   0.678866D+00 -0.606502D-01 -0.367347D+01  0.400559D+00  0.965941D+00
               166           167           168           169           170 
      1   0.211724D+01 -0.152932D+00 -0.302934D+00 -0.209369D+01  0.462090D+00
      2  -0.152932D+00 -0.725137D+00 -0.142981D+01  0.462090D+00 -0.596314D+00
      3  -0.302934D+00 -0.142981D+01 -0.115285D+00  0.680039D+00 -0.834034D+00
               171           172           173           174           175 
      1   0.680039D+00 -0.955858D+01 -0.616595D-01  0.183162D+01 -0.117224D+01
      2  -0.834034D+00 -0.616595D-01 -0.371828D+00 -0.552560D+00  0.132916D+00
      3  -0.701470D+01  0.183162D+01 -0.552560D+00 -0.246940D+01  0.109967D-01
               176           177           178           179           180 
      1   0.132916D+00  0.109967D-01  0.521457D+01 -0.442336D+00 -0.196646D+01
      2  -0.623415D+00 -0.658690D+00 -0.442336D+00 -0.845780D+00  0.380556D-01
      3  -0.658690D+00 -0.544325D+00 -0.196646D+01  0.380556D-01 -0.213738D+00
               181           182           183           184           185 
      1  -0.664953D+01  0.127229D+01 -0.111262D+00 -0.129726D+02 -0.150314D+01
      2   0.127229D+01 -0.922791D+01  0.116681D+01 -0.150314D+01  0.656922D+01
      3  -0.111262D+00  0.116681D+01 -0.229836D+01 -0.118648D+01 -0.130875D+01
               186           187           188           189           190 
      1  -0.118648D+01  0.153022D+01  0.155250D-01 -0.402705D+01 -0.427632D+02
      2  -0.130875D+01  0.155250D-01 -0.195754D+01 -0.209925D+01 -0.451740D+01
      3  -0.100805D+01 -0.402705D+01 -0.209925D+01 -0.149546D+00 -0.176718D+01
               191           192           193           194           195 
      1  -0.451740D+01 -0.176718D+01  0.744216D+00 -0.326782D+01 -0.234701D+00
      2  -0.976746D+01  0.415233D+00 -0.326782D+01 -0.121510D+02  0.126209D+01
      3   0.415233D+00 -0.312715D+01 -0.234701D+00  0.126209D+01  0.285263D+00
               196           197           198           199           200 
      1  -0.248300D+01 -0.744100D+00 -0.698463D+01  0.411283D+02  0.850014D+01
      2  -0.744100D+00  0.451592D+00 -0.448427D+00  0.850014D+01  0.775958D+01
      3  -0.698463D+01 -0.448427D+00 -0.128151D+01  0.180729D+01 -0.665255D+00
               201           202           203           204           205 
      1   0.180729D+01  0.149242D+02  0.269548D+01  0.647116D+00  0.171836D+01
      2  -0.665255D+00  0.269548D+01  0.499802D+01  0.338745D+00  0.665067D-01
      3   0.720920D+00  0.647116D+00  0.338745D+00  0.208684D+01  0.427863D+00
               206           207           208           209           210 
      1   0.665067D-01  0.427863D+00  0.126111D+02  0.344767D+01  0.565692D+00
      2   0.105890D+01  0.416275D+01  0.344767D+01  0.294694D+01 -0.903426D-01
      3   0.416275D+01 -0.983682D+00  0.565692D+00 -0.903426D-01 -0.221310D+00
               211           212           213           214           215 
      1  -0.333897D+01 -0.300156D+01  0.122876D+00  0.147653D+01  0.519147D+00
      2  -0.300156D+01  0.155992D+01 -0.434943D+00  0.519147D+00  0.217868D+00
      3   0.122876D+00 -0.434943D+00 -0.833061D+00 -0.103535D+00  0.756920D+00
               216           217           218           219           220 
      1  -0.103535D+00 -0.753384D+00 -0.394770D+01  0.797410D-01 -0.428973D+01
      2   0.756920D+00 -0.394770D+01 -0.231983D-01 -0.613516D+00  0.302880D+01
      3  -0.139924D+00  0.797410D-01 -0.613516D+00  0.957130D+00 -0.847606D+00
               221           222           223           224           225 
      1   0.302880D+01 -0.847606D+00  0.131937D+00 -0.767910D+00  0.262816D+01
      2   0.141654D+01  0.113764D+01 -0.767910D+00  0.786614D+00  0.410514D+01
      3   0.113764D+01  0.555626D+01  0.262816D+01  0.410514D+01 -0.111824D+01
               226           227           228           229           230 
      1   0.359233D+00 -0.136823D+01  0.172710D+00 -0.461799D+00  0.863955D-01
      2  -0.136823D+01  0.147120D+01 -0.276792D+00  0.863955D-01 -0.102346D+02
      3   0.172710D+00 -0.276792D+00  0.174817D+00  0.871622D-02  0.103736D+01
               231           232           233           234           235 
      1   0.871622D-02  0.742249D-01 -0.150821D+00 -0.545243D-01 -0.765921D+01
      2   0.103736D+01 -0.150821D+00  0.116656D+01 -0.341021D+00 -0.347626D+01
      3  -0.103297D+01 -0.545243D-01 -0.341021D+00  0.173120D+00 -0.220986D+00
               236           237           238           239           240 
      1  -0.347626D+01 -0.220986D+00 -0.521250D+01 -0.436037D+01  0.150042D+00
      2  -0.275856D+01  0.166486D-02 -0.436037D+01 -0.430559D+01  0.357452D-01
      3   0.166486D-02 -0.452760D+00  0.150042D+00  0.357452D-01 -0.624494D+00
               241           242           243           244           245 
      1  -0.149909D+00  0.227608D+00  0.332592D+00 -0.730506D+00  0.220269D+01
      2   0.227608D+00  0.177199D+00 -0.215978D+00  0.220269D+01 -0.160820D+01
      3   0.332592D+00 -0.215978D+00  0.134051D+00 -0.254873D+00  0.325062D+00
               246           247           248           249           250 
      1  -0.254873D+00  0.258190D+01 -0.319713D+01  0.424638D+00 -0.297726D+00
      2   0.325062D+00 -0.319713D+01  0.868707D+01 -0.101914D+01  0.507658D+00
      3  -0.287737D+00  0.424638D+00 -0.101914D+01  0.112269D+01 -0.335648D+00
               251           252           253           254           255 
      1   0.507658D+00 -0.335648D+00 -0.888395D+00 -0.448158D+00  0.172687D+01
      2  -0.104331D+01  0.323826D+00 -0.448158D+00 -0.115525D+00  0.467347D+00
      3   0.323826D+00 -0.216234D+00  0.172687D+01  0.467347D+00 -0.450301D+00
               256           257           258           259           260 
      1  -0.179951D+01 -0.186430D+01  0.126469D+01  0.506082D+01  0.150622D+01
      2  -0.186430D+01 -0.203006D+01  0.152771D+01  0.150622D+01  0.167797D+01
      3   0.126469D+01  0.152771D+01 -0.234729D+01 -0.306135D+01 -0.227282D+01
               261           262           263           264           265 
      1  -0.306135D+01  0.181862D+00 -0.442269D+00 -0.115028D+01 -0.230374D+01
      2  -0.227282D+01 -0.442269D+00  0.815734D-01 -0.136839D+00 -0.215394D+01
      3   0.526259D+01 -0.115028D+01 -0.136839D+00  0.808418D-01 -0.131829D+01
               266           267           268           269           270 
      1  -0.215394D+01 -0.131829D+01 -0.372888D+01 -0.130686D+01 -0.256654D+01
      2  -0.329106D+01 -0.239151D+01 -0.130686D+01 -0.221218D+01 -0.273807D+01
      3  -0.239151D+01 -0.300280D+01 -0.256654D+01 -0.273807D+01 -0.441387D+01
               271           272           273           274           275 
      1  -0.126384D+02  0.319715D+01 -0.113619D+01  0.661603D+01 -0.267684D+01
      2   0.319715D+01 -0.148672D+01  0.307561D+00 -0.267684D+01  0.217864D+01
      3  -0.113619D+01  0.307561D+00 -0.116332D+01  0.576224D+00 -0.394239D+00
               276           277           278           279 
      1   0.576224D+00 -0.161347D+01  0.382544D+00 -0.188421D+01
      2  -0.394239D+00  0.382544D+00 -0.356021D+00  0.980860D-01
      3   0.456785D+00 -0.188421D+01  0.980860D-01 -0.414813D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.127698D+01 -0.344914D+01 -0.604575D-01 -0.311079D+01 -0.194968D+01
      2  -0.971201D+01  0.337124D+01 -0.377571D+00  0.139708D+02  0.296363D+01
      3  -0.834358D+01  0.417994D+02 -0.493538D+01  0.421697D+02  0.204009D+02
                 6             7             8             9            10 
      1  -0.243390D+00  0.397319D+01  0.773976D+01 -0.576911D+00 -0.163748D+01
      2   0.469094D-03 -0.206150D+02 -0.163225D+01 -0.157851D+01  0.117097D+02
      3   0.317238D+00 -0.193504D+01  0.154092D+01 -0.226202D+01  0.166847D+02
                11            12            13            14            15 
      1  -0.484385D+01  0.783956D-01 -0.367077D+01  0.721340D+00  0.344936D+00
      2   0.662166D+01 -0.369404D+01 -0.832388D+01  0.724786D+00 -0.622900D+00
      3   0.516375D+02 -0.404194D+01  0.544689D+02  0.178178D+02  0.241033D+01
                16            17            18            19            20 
      1   0.237039D+01  0.673499D+01 -0.979008D+00 -0.241984D+01  0.528391D+00
      2  -0.180234D+02  0.199182D+00 -0.136837D+01  0.179801D+02 -0.729754D+00
      3  -0.191833D+01  0.314484D+01  0.997718D+00  0.234503D+02 -0.310038D+02
                21            22            23            24            25 
      1  -0.982063D+00  0.117093D+01 -0.194594D+01 -0.270385D+01  0.310787D+01
      2  -0.417790D+00  0.311866D+01  0.214906D+00 -0.186354D+01 -0.191551D+02
      3   0.482370D+01  0.934510D+01  0.246009D+01  0.576336D+00  0.215299D+01
                26            27            28            29            30 
      1  -0.653775D+00 -0.136375D+01 -0.154533D+01 -0.593245D+00  0.216637D+00
      2  -0.699535D+01  0.417788D+00 -0.143283D+02 -0.219273D+00  0.164083D+01
      3  -0.169629D+01  0.455604D+01 -0.323974D+00  0.588989D+01 -0.108943D+01
                31            32            33            34            35 
      1  -0.414229D+01  0.542102D+01  0.178487D+01  0.238078D+01  0.125872D+02
      2   0.211855D+01 -0.143737D+00  0.153741D+01 -0.129782D+02 -0.196867D+01
      3   0.269247D+02  0.833925D+01 -0.700194D+00 -0.276171D+00  0.624577D+00
                36            37            38            39            40 
      1  -0.975164D+00 -0.125209D+01  0.162844D+01 -0.456025D+01 -0.454838D+00
      2  -0.190942D+01  0.185424D+01  0.602064D+00  0.233474D+01 -0.513139D+01
      3  -0.252068D+01  0.290947D+02  0.335074D+01  0.375977D+00 -0.103176D+02
                41            42            43            44            45 
      1  -0.180484D+01 -0.886714D-01 -0.149152D+02  0.891080D+01 -0.229484D+01
      2   0.528980D+00  0.502007D+00 -0.803982D+01  0.604600D+01 -0.143478D+01
      3  -0.207580D+00  0.759022D+00  0.267829D+01  0.199912D+01  0.615733D+01
                46            47            48            49            50 
      1   0.373279D+01  0.152959D+01  0.393392D+01  0.203164D+01  0.914829D+00
      2  -0.223551D+01 -0.492564D+01  0.358872D+00 -0.317013D+01 -0.261408D+01
      3  -0.549758D+02 -0.365687D+02  0.903804D+00 -0.700488D+01 -0.210873D+02
                51            52            53            54            55 
      1  -0.295969D+01  0.629323D+01 -0.370633D+01  0.348276D+01  0.113819D+01
      2   0.838612D+00 -0.179867D+02  0.126672D+01 -0.177407D+01 -0.158600D+01
      3   0.662162D+00 -0.121569D+01 -0.204022D+01 -0.495816D+01 -0.307450D+02
                56            57            58            59            60 
      1   0.496149D+01  0.332219D+01 -0.274973D-01  0.972816D+00 -0.267479D+01
      2  -0.431920D+01 -0.442751D+01 -0.179431D+01 -0.584142D+00  0.377331D+01
      3  -0.353800D+02  0.330127D+01 -0.521528D+00 -0.228652D+02  0.830674D+00
                61            62            63            64            65 
      1   0.387694D+01 -0.363141D+01  0.140735D+01 -0.463099D+00 -0.140049D+00
      2  -0.213577D+02  0.602359D+01 -0.409118D+01  0.618664D-01  0.489057D+00
      3   0.995326D+00 -0.276089D+01 -0.920349D+01  0.464389D+00  0.583547D+00
                66            67            68            69            70 
      1   0.806122D+00  0.593546D+00 -0.199916D+01 -0.376717D+01  0.266980D+00
      2   0.127131D+00  0.914607D+00  0.151829D+00 -0.113326D+01 -0.143521D+01
      3   0.282234D-01  0.449801D+01  0.553429D+01 -0.652938D+00 -0.929832D-01
                71            72            73            74            75 
      1   0.250073D+01  0.442294D+00 -0.101014D+01  0.310667D+00 -0.302136D+01
      2   0.106939D+01 -0.305061D-01 -0.786249D+00 -0.725068D+00  0.241684D+01
      3  -0.504055D+00 -0.589201D+00  0.116033D+02  0.532809D-02  0.936830D+00
                76            77            78            79            80 
      1   0.135498D+01  0.823869D+00 -0.251031D+01  0.153963D+01  0.827784D+00
      2  -0.141466D+01 -0.893887D+00  0.246605D+01 -0.242588D+01  0.375122D+00
      3   0.174842D+01 -0.140968D+01 -0.312648D+00  0.246794D+01 -0.242449D+00
                81            82            83            84            85 
      1   0.138403D+00  0.756285D+00 -0.767898D+00  0.110579D+01 -0.319156D+00
      2  -0.330617D+00 -0.382155D+00  0.231451D-01  0.440064D+00  0.445279D+00
      3  -0.465476D+00 -0.441983D+01  0.222130D+01 -0.609980D+00  0.495911D+01
                86            87            88            89            90 
      1   0.248372D+01 -0.516994D+01 -0.128519D+01  0.172701D+01  0.320213D+00
      2  -0.391464D+00 -0.669610D+00 -0.383508D+00 -0.775638D+00  0.308967D+00
      3  -0.352588D+01  0.557945D+00 -0.123531D+01  0.120326D+01  0.903761D+00
                91            92            93            94            95 
      1  -0.195194D+01 -0.365636D+00 -0.119829D+01 -0.234952D+01  0.246510D+01
      2   0.114712D+02 -0.680434D+00 -0.809943D+01 -0.448605D+01 -0.299974D+01
      3   0.677677D+01 -0.567179D+01  0.162181D+01  0.926015D+01 -0.224596D+02
                96            97            98            99           100 
      1  -0.305888D+01 -0.461753D+01  0.329853D+01 -0.927551D+00  0.540871D+01
      2  -0.173946D+01 -0.352441D+02 -0.262506D+01  0.508976D+01  0.961490D+01
      3   0.510187D+01  0.391776D+01  0.304524D+01  0.614577D+01 -0.165427D+02
               101           102           103           104           105 
      1   0.406088D+00  0.673305D-01 -0.210702D+01 -0.116218D+02 -0.383382D+01
      2  -0.318608D+01  0.221821D+02 -0.170870D+01  0.108987D+01  0.895106D+01
      3  -0.152096D+01 -0.273026D+01  0.418556D+01  0.241926D+02  0.747773D+00
               106           107           108           109           110 
      1   0.202666D+01  0.196935D+01  0.678295D+01  0.478550D+01  0.266325D+01
      2   0.154131D+02  0.739819D+01 -0.119987D+02 -0.164173D+02  0.843836D-01
      3  -0.470483D+01 -0.283373D+00 -0.945477D+01  0.218766D+01  0.143009D+02
               111           112           113           114           115 
      1   0.655804D+01  0.115216D+02 -0.310337D+00 -0.152866D+02  0.529396D+01
      2   0.158523D+01  0.345842D+01 -0.142277D+01 -0.600037D+01  0.975876D+01
      3   0.380751D+00  0.176984D+02  0.116625D+02 -0.240018D+01 -0.452685D-01
               116           117           118           119           120 
      1  -0.501320D+01 -0.894721D-01 -0.517235D+00  0.447916D+00  0.139836D+00
      2  -0.206623D+01 -0.233003D+01  0.123090D+01  0.506888D+00  0.291721D+01
      3  -0.162348D+01 -0.277147D+01  0.707467D+01 -0.123007D+01 -0.103838D+00
               121           122           123           124           125 
      1   0.746666D+00 -0.414549D+01 -0.220179D+01  0.170360D+00  0.638740D+00
      2   0.117779D+01  0.164137D+01 -0.470755D+01  0.223949D+01 -0.293558D+01
      3  -0.111663D+01  0.243400D+02 -0.292760D+01  0.478950D+00 -0.236279D+01
               126           127           128           129           130 
      1   0.233325D+00 -0.309797D+01  0.347097D+01 -0.184229D+00  0.347171D+01
      2   0.139025D+01 -0.111717D+02  0.208430D+01  0.571412D+01  0.171418D+01
      3   0.282213D+01  0.834757D+01 -0.841627D+01  0.138654D+01 -0.687838D+01
               131           132           133           134           135 
      1  -0.746011D+00 -0.297626D+00 -0.104138D+01  0.744129D+00 -0.117674D+01
      2  -0.134728D+01 -0.342591D+01  0.234859D+01 -0.162016D+01 -0.968134D-01
      3   0.168066D+01 -0.161878D+01  0.137675D+01 -0.125315D+01  0.264024D+01
               136           137           138           139           140 
      1  -0.157700D+01 -0.234124D+01  0.702469D+00 -0.848964D+00 -0.662426D+00
      2   0.842498D+01  0.187645D+01 -0.143009D+02  0.158147D+01  0.480392D+01
      3   0.229377D+01  0.170652D+01 -0.763735D+00  0.160963D+01  0.430686D+00
               141           142           143           144           145 
      1   0.151762D+01  0.616009D-01  0.400474D+01 -0.288699D+01  0.305444D+01
      2  -0.708655D+01 -0.689035D+01 -0.397371D+01  0.312396D+02 -0.112310D+01
      3  -0.449749D+01  0.429192D+00 -0.311788D+01  0.393249D+01 -0.542219D+01
               146           147           148           149           150 
      1   0.635943D+00  0.426544D+00  0.103592D+01  0.144759D+02 -0.104638D+01
      2  -0.119554D+01 -0.106429D+01 -0.587564D+00  0.210725D+01  0.548409D+01
      3  -0.137359D+01 -0.104456D+01 -0.352885D+00 -0.284018D+02 -0.345844D+01
               151           152           153           154           155 
      1   0.820644D+00  0.652321D+00  0.167215D+01 -0.422953D+01 -0.295882D+01
      2  -0.129911D+01  0.246609D+01  0.108685D+01  0.847935D+01  0.142033D+01
      3  -0.256113D+01  0.338639D+00 -0.339995D+01 -0.129351D+02 -0.225846D+02
               156           157           158           159           160 
      1  -0.247643D+01 -0.797043D+01 -0.249627D+01  0.302176D+00 -0.425224D+00
      2   0.223847D+02 -0.331457D+01  0.174988D+01  0.741871D+01  0.872380D+01
      3  -0.199800D+00 -0.162609D+02 -0.137598D+02  0.184377D+01  0.109246D+01
               161           162           163           164           165 
      1   0.350846D+01 -0.101084D+01 -0.515724D+01 -0.141741D+01 -0.403939D+00
      2   0.311230D+01  0.966198D+00  0.886031D+01  0.248394D+01  0.128157D+01
      3   0.219601D+01 -0.367431D+01 -0.789432D+01 -0.408867D+01  0.647700D+00
               166           167           168           169           170 
      1  -0.386466D+01  0.150767D+01  0.414183D+01  0.243091D+01  0.791325D+01
      2   0.342844D+01 -0.575373D+01  0.932803D+00 -0.801195D+01 -0.267272D+01
      3  -0.729751D+00  0.211537D+01  0.680764D+01  0.526280D+00  0.267761D+01
               171           172           173           174           175 
      1  -0.330410D+01  0.501683D+01  0.140094D+01 -0.185634D+01  0.431398D+01
      2  -0.239116D+02 -0.196180D+02 -0.240785D+01 -0.500884D+01 -0.338401D+01
      3   0.334066D+01  0.894028D+01  0.218335D+01 -0.467272D-01  0.546070D+01
               176           177           178           179           180 
      1  -0.445942D+00 -0.219772D+01 -0.241230D+01 -0.340879D+00  0.100270D+01
      2  -0.244552D+01 -0.155208D+01 -0.251853D+00 -0.252172D+00 -0.229143D+01
      3   0.944796D+00  0.112703D+01 -0.296108D+01 -0.355222D+00  0.139047D+01
               181           182           183           184           185 
      1   0.414642D+00 -0.347499D+01 -0.430413D+01 -0.352815D+00  0.150742D+01
      2   0.259796D+01  0.667044D+00  0.765704D+01  0.103594D+01  0.203739D+01
      3   0.156456D+02  0.598815D+01 -0.679467D+00 -0.123763D+02  0.593823D+01
               186           187           188           189           190 
      1  -0.135991D+01 -0.120171D+02  0.732895D+01 -0.244863D+01 -0.175067D+01
      2   0.230344D+01 -0.245262D+01  0.101227D+02 -0.308474D-01  0.117277D+02
      3  -0.172015D+01  0.193081D+01 -0.413963D+00  0.924176D+00  0.178497D+02
               191           192           193           194           195 
      1  -0.457362D+01  0.163674D+01 -0.394545D+01 -0.120862D+01  0.293714D+01
      2   0.372832D+01  0.131283D+00  0.459260D+01  0.130898D+01 -0.390542D-01
      3   0.209439D+02 -0.640631D+00  0.386217D+02  0.551893D+01  0.244727D+01
               196           197           198           199           200 
      1   0.489017D+00  0.118895D+02 -0.145711D+01  0.813688D-01  0.475334D+01
      2   0.259384D+01 -0.406133D+01  0.221734D+01 -0.828290D+01 -0.516635D+01
      3  -0.314477D+01  0.270106D+01 -0.131959D+01  0.390048D+01 -0.421217D+02
               201           202           203           204           205 
      1  -0.826103D+00  0.117773D+01  0.172444D+01 -0.283208D+01  0.450986D+01
      2   0.236804D+01 -0.550159D+01 -0.374335D+01 -0.379327D+01 -0.207047D+02
      3   0.363148D+01 -0.208425D+01 -0.933690D+01  0.186491D+01  0.239958D+01
               206           207           208           209           210 
      1   0.172037D+01  0.887518D+00  0.127550D+01  0.374435D+01 -0.131864D+01
      2  -0.152580D+02  0.155128D+01 -0.451145D+01 -0.323188D+01  0.143000D+02
      3  -0.646625D-01  0.856635D+01 -0.688763D+01 -0.378473D+02  0.155892D+01
               211           212           213           214           215 
      1  -0.486332D+00 -0.145715D+01 -0.415348D+01 -0.248252D+01 -0.864803D+00
      2   0.307350D-01  0.256270D+01  0.382744D+01 -0.545040D+01 -0.187152D+01
      3   0.479076D+00  0.150267D+02 -0.192691D+01 -0.616996D+00 -0.441847D+01
               216           217           218           219           220 
      1   0.144370D+00  0.633503D+00 -0.149571D+01  0.129734D+01 -0.992798D+00
      2   0.880013D+00 -0.243077D+00  0.417455D+01 -0.625327D+01  0.461962D+01
      3   0.341017D+01 -0.277551D+02  0.138790D+02 -0.552132D+01  0.289366D+02
               221           222           223           224           225 
      1  -0.588714D+00  0.195670D+01  0.912483D+01  0.459355D+01 -0.149852D+01
      2  -0.545089D+01 -0.357278D+02 -0.216957D+02 -0.268479D+02  0.760882D+01
      3   0.195757D+02  0.737896D+01 -0.494363D+01  0.565783D+01  0.277048D+02
               226           227           228           229           230 
      1   0.167287D+00 -0.278857D+00  0.994080D+00 -0.418997D-02 -0.726032D+00
      2  -0.755769D+00  0.852240D+00 -0.211879D-01  0.472622D+00 -0.213552D+01
      3  -0.623891D+01  0.434048D+01 -0.102182D+01  0.415827D+01 -0.206949D+02
               231           232           233           234           235 
      1  -0.458666D+01 -0.348182D+00  0.256641D+01  0.191616D+00 -0.105730D+01
      2   0.124740D+01 -0.421782D-01  0.294586D-02 -0.555232D-01  0.218721D+01
      3   0.220252D+01 -0.118401D+01  0.300909D+01 -0.889212D-01  0.394600D+01
               236           237           238           239           240 
      1  -0.385679D+00 -0.189174D+01 -0.378922D-01 -0.190320D+00 -0.235419D+01
      2   0.393109D+00  0.246745D+01 -0.301881D-01  0.213285D+00  0.327098D+01
      3  -0.544096D+01  0.612052D+00 -0.532605D+01 -0.106151D+02  0.624916D-01
               241           242           243           244           245 
      1   0.216858D+01  0.803843D+00  0.235182D+00  0.182965D+00 -0.333194D+00
      2  -0.293982D+01  0.403600D+00 -0.616396D+00  0.544957D+00 -0.692948D+00
      3   0.161904D+01  0.527374D+00 -0.126347D+01  0.342095D+01 -0.231853D+01
               246           247           248           249           250 
      1   0.989265D+00 -0.275379D+00  0.129513D-01 -0.396529D+01  0.138159D+00
      2   0.110919D+01 -0.650011D+00  0.256003D+01 -0.339066D+01 -0.141764D+01
      3   0.508785D+00 -0.152486D+01  0.206841D+02 -0.221196D+01  0.746505D+00
               251           252           253           254           255 
      1   0.173356D+01  0.338151D+00 -0.177205D+00  0.182954D+00 -0.120135D+00
      2  -0.205125D+00  0.410515D+00 -0.109773D+02 -0.269929D+01  0.327952D+01
      3  -0.216032D+01  0.388256D+00 -0.426130D+01 -0.238996D+01  0.236281D+01
               256           257           258           259           260 
      1   0.972557D+00  0.708713D+00 -0.233864D+01 -0.251387D+01  0.864511D+00
      2  -0.629074D+01 -0.930468D+01  0.147714D+02  0.152171D+02  0.144764D+02
      3  -0.100162D+02 -0.158048D+02  0.981185D+01  0.772189D+01  0.124999D+02
               261           262           263           264           265 
      1   0.398854D+01  0.976254D+00 -0.207992D-01  0.632499D+00 -0.417532D-01
      2  -0.321784D+02  0.740644D+01  0.183060D+00 -0.213597D+00  0.500235D+01
      3  -0.150047D+02 -0.434039D+01 -0.751240D+00 -0.157468D+00 -0.112099D+02
               266           267           268           269           270 
      1   0.122242D+01 -0.198676D+01 -0.109264D+01  0.163859D+01 -0.221381D+01
      2   0.128320D+02  0.176691D+02  0.110095D+02  0.161402D+02  0.249775D+02
      3  -0.238430D+02 -0.146791D+02 -0.642512D+01 -0.152807D+02 -0.174287D+02
               271           272           273           274           275 
      1  -0.105716D+01  0.775793D+00  0.296925D+00  0.796377D+00 -0.765383D+00
      2   0.379390D+01 -0.128060D+01  0.874686D+01 -0.189426D+01  0.173997D+01
      3   0.223906D+02 -0.133399D+02  0.240146D+01 -0.168266D+02  0.143719D+02
               276           277           278           279 
      1  -0.931924D+00 -0.877946D+00  0.531191D+00  0.401492D-01
      2  -0.324221D+01  0.951970D+01 -0.364161D+00  0.207050D+01
      3  -0.259155D+01  0.272659D+01 -0.258752D+01  0.524656D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.952190D+02 -0.434654D+02 -0.103310D+01  0.925410D+02 -0.921172D+01
      2   0.503272D+02  0.261485D+02  0.581822D+00 -0.417822D+02  0.120309D+02
      3   0.448917D+02  0.173169D+02  0.451283D+00 -0.507588D+02 -0.281915D+01
      4  -0.334538D+02  0.728082D+01 -0.311064D+01 -0.367815D+01  0.109628D+02
      5   0.354108D+01 -0.297688D+01 -0.363946D+00 -0.468866D+01 -0.350544D+01
      6  -0.264460D+00  0.138888D+01 -0.258815D+00 -0.405866D+01 -0.318676D+01
                 6             7             8             9            10 
      1   0.641939D+01 -0.178166D+02 -0.343502D+01 -0.122428D+02  0.613457D+02
      2  -0.448440D+01  0.791752D+01  0.142048D+01 -0.302187D+00 -0.158155D+02
      3  -0.193499D+01  0.989913D+01  0.201454D+01  0.125450D+02 -0.455302D+02
      4  -0.156043D+01 -0.211401D+01 -0.499644D+00  0.391337D+00 -0.446733D+01
      5  -0.876377D+00  0.134951D+01  0.189670D+01 -0.173541D+01  0.103087D+01
      6  -0.181598D+00 -0.272656D+01  0.327770D+01  0.434640D+00 -0.576036D+01
                11            12            13            14            15 
      1  -0.160119D+02  0.776101D+01 -0.114497D+03 -0.231306D+02 -0.645786D+01
      2   0.132047D+02 -0.264038D+01  0.516689D+02  0.193950D+02  0.111376D+01
      3   0.280721D+01 -0.512063D+01  0.628282D+02  0.373554D+01  0.534410D+01
      4   0.349009D+01 -0.131864D+01 -0.185008D+02 -0.143707D+02  0.176692D+00
      5  -0.380981D+01 -0.735624D+01  0.629382D+01  0.201659D+01  0.590591D-01
      6  -0.116893D+01 -0.866872D+00  0.266927D+01  0.633864D+00 -0.101695D+01
                16            17            18            19            20 
      1   0.181872D+02  0.319935D+00 -0.731562D+01  0.671830D+02  0.445946D+02
      2  -0.649266D+01 -0.900310D+00 -0.211858D+01 -0.319815D+02 -0.293214D+02
      3  -0.116945D+02  0.580374D+00  0.943419D+01 -0.352014D+02 -0.152731D+02
      4   0.188044D+01  0.107253D+01 -0.231501D+01  0.344127D+02 -0.112587D+02
      5  -0.101341D-01 -0.213491D+01 -0.181360D+01 -0.782550D+01  0.194559D+01
      6  -0.186734D+01  0.326216D+01  0.162215D+01 -0.216490D+01 -0.474187D+01
                21            22            23            24            25 
      1   0.293310D+01 -0.119459D+02  0.197783D+02 -0.190462D+01  0.801242D+01
      2  -0.220615D+00  0.185898D+02 -0.250640D+02  0.454271D+01 -0.469869D+01
      3  -0.271248D+01 -0.664392D+01  0.528570D+01 -0.263809D+01 -0.331373D+01
      4   0.300001D+01  0.137467D+02  0.198252D+01 -0.134215D+01  0.354196D+01
      5  -0.524208D+01 -0.249580D+01 -0.273644D+01 -0.672936D+01  0.807847D+01
      6   0.139145D+01 -0.405812D+01  0.408869D+01  0.469523D+01 -0.929745D+00
                26            27            28            29            30 
      1   0.436819D+01 -0.129901D+02 -0.122256D+01 -0.167681D+01 -0.314344D+01
      2   0.297306D+01 -0.112402D+01 -0.176291D+02  0.185868D+01 -0.135046D+00
      3  -0.734125D+01  0.141141D+02  0.188516D+02 -0.181874D+00  0.327848D+01
      4  -0.327344D+01 -0.452983D+01 -0.164495D+02  0.106351D+02 -0.344603D+00
      5  -0.834810D+01 -0.636205D+00  0.108847D+02  0.219027D+01  0.982747D+01
      6   0.123489D+02 -0.253856D+01  0.571592D+01  0.241267D+01 -0.234287D+01
                31            32            33            34            35 
      1  -0.493931D+02 -0.584029D+02  0.451511D+01 -0.354217D+00  0.410370D+01
      2   0.400035D+02  0.508932D+02 -0.561451D+01 -0.511407D+01 -0.519060D+01
      3   0.938959D+01  0.750970D+01  0.109939D+01  0.546828D+01  0.108690D+01
      4  -0.315389D+02  0.485265D+01 -0.187817D+01  0.502671D+01 -0.244956D+00
      5   0.525848D+01 -0.160344D+01  0.287148D+01  0.306439D+02  0.445219D+01
      6  -0.458585D+01  0.159241D+01 -0.395648D+01 -0.360951D+01  0.270726D+01
                36            37            38            39            40 
      1  -0.989566D+00 -0.186470D+02 -0.540967D+02  0.250619D+01  0.399051D+02
      2  -0.972501D+01  0.956640D+01  0.412232D+02 -0.171089D+01 -0.402692D+02
      3   0.107146D+02  0.908056D+01  0.128736D+02 -0.795291D+00  0.364124D+00
      4  -0.141667D+01 -0.128131D+02 -0.297389D+01 -0.105764D+01  0.101238D+02
      5   0.114408D+01  0.119348D+01 -0.394690D+01  0.635257D+01  0.348857D+01
      6   0.210895D+01 -0.361427D+01  0.252329D+01  0.748059D+01  0.801461D+01
                41            42            43            44            45 
      1   0.363418D+02 -0.380127D+01 -0.890785D+01 -0.115111D+02 -0.919706D+01
      2  -0.334376D+02  0.126864D+01  0.748098D+01  0.805269D+01 -0.147343D+01
      3  -0.290421D+01  0.253263D+01  0.142687D+01  0.345843D+01  0.106705D+02
      4  -0.171574D+02  0.374002D+01 -0.249044D+01  0.270861D+01  0.788660D+01
      5   0.526012D+01  0.519244D+01  0.165453D+02  0.448872D+01  0.420449D+00
      6  -0.102028D+01  0.216847D+01  0.180525D+02  0.732971D+01  0.497423D+01
                46            47            48            49            50 
      1   0.322600D+02  0.421774D+02  0.997768D+00 -0.672830D+01  0.601473D+01
      2  -0.247228D+02 -0.328481D+02 -0.304066D+00  0.456414D+01 -0.162010D+02
      3  -0.753717D+01 -0.932935D+01 -0.693702D+00  0.216416D+01  0.101862D+02
      4   0.665610D+01 -0.829985D+01  0.161282D+01  0.875064D+01  0.790409D+01
      5  -0.439122D+01  0.421113D+01 -0.167818D+01 -0.264993D+00 -0.173810D+00
      6   0.407202D+01 -0.497847D+01 -0.496855D+01 -0.546841D-01  0.683980D+01
                51            52            53            54            55 
      1  -0.418268D+01  0.578422D+01 -0.102916D+01 -0.205589D+02  0.227286D+02
      2   0.426422D+01 -0.481690D+01  0.405379D+01  0.964578D+01 -0.201842D+02
      3  -0.815403D-01 -0.967317D+00 -0.302462D+01  0.109131D+02 -0.254436D+01
      4  -0.807990D+00  0.371174D+00 -0.415026D+01 -0.193018D+01  0.268064D+02
      5  -0.849227D-01  0.366123D+01  0.949057D+00 -0.242864D+01  0.194107D+01
      6   0.675062D+01 -0.425008D+01  0.213022D+02 -0.245246D+01  0.329013D+01
                56            57            58            59            60 
      1   0.533523D+02 -0.145566D+01  0.819246D+01  0.237852D+02 -0.449902D+01
      2  -0.358272D+02  0.586573D-01 -0.217769D+01 -0.245643D+02  0.531867D+01
      3  -0.175251D+02  0.139700D+01 -0.601477D+01  0.779118D+00 -0.819644D+00
      4  -0.402585D+02  0.469958D+01  0.266289D+02  0.119379D+02  0.187496D+01
      5   0.595387D+01 -0.996545D+01 -0.275884D+01  0.137952D+01  0.546955D+01
      6  -0.149913D+01 -0.544081D+01 -0.194384D+00  0.598694D+01  0.606986D+01
                61            62            63            64            65 
      1   0.230991D+01 -0.152034D+01 -0.192118D+02 -0.137562D+01  0.268928D+01
      2  -0.208302D+01  0.651952D+01  0.703484D+01  0.406409D+01 -0.389230D+01
      3  -0.226890D+00 -0.499918D+01  0.121770D+02 -0.268848D+01  0.120302D+01
      4  -0.187632D+01 -0.377087D+01  0.124414D+02 -0.498684D+01  0.952882D+01
      5   0.235047D+01  0.149994D+02 -0.679896D+01  0.111692D+01 -0.176730D+01
      6   0.848442D+00  0.206262D+02 -0.410379D+01 -0.197027D+01  0.172737D+01
                66            67            68            69            70 
      1  -0.430066D+00  0.738153D+01 -0.320711D+02  0.476244D+01 -0.306900D+00
      2   0.285627D+00 -0.995327D+01  0.387338D+02 -0.352950D+01  0.403224D+00
      3   0.144439D+00  0.257174D+01 -0.666270D+01 -0.123294D+01 -0.963248D-01
      4  -0.136044D+01  0.101220D+02 -0.182561D+02  0.227803D+01 -0.158555D+01
      5   0.140226D+01 -0.177240D+01  0.149888D+01 -0.215048D+01  0.350299D+00
      6  -0.106364D+01  0.279358D+01 -0.948715D+01  0.709731D+01 -0.201973D+01
                71            72            73            74            75 
      1   0.334497D+01 -0.389026D+01  0.115732D+02 -0.843642D+00  0.425355D+00
      2  -0.341268D+01  0.406354D+01 -0.313785D+00  0.794646D+01 -0.791064D+00
      3   0.677063D-01 -0.173285D+00 -0.112594D+02 -0.710282D+01  0.365708D+00
      4   0.273504D+01 -0.103963D+01  0.259967D+02  0.192016D+02 -0.588324D-02
      5   0.100576D-01  0.695323D+00  0.325420D+01  0.208069D+00  0.509211D+01
      6   0.378122D+01 -0.216507D+01  0.177984D+01  0.966747D+00  0.288834D+01
                76            77            78            79            80 
      1  -0.378718D+01 -0.882192D+01 -0.229695D+00  0.194855D+01  0.586181D+00
      2   0.134594D+02  0.185395D+02  0.119742D-01 -0.229732D+01 -0.987841D+00
      3  -0.967218D+01 -0.971762D+01  0.217721D+00  0.348770D+00  0.401661D+00
      4   0.256838D+02  0.255711D+02 -0.232036D+00 -0.133019D+01 -0.137835D+01
      5  -0.230775D+00  0.126072D+00  0.329349D+01  0.126136D+01  0.211812D+01
      6   0.924668D+00  0.156513D+01  0.436754D+01 -0.559824D+00  0.253114D+01
                81            82            83            84            85 
      1   0.767015D+00 -0.439884D+01  0.652473D+01 -0.127276D+01  0.315978D+01
      2   0.535354D+00  0.673049D+01 -0.881019D+01  0.113498D+01 -0.381812D+01
      3  -0.130237D+01 -0.233165D+01  0.228546D+01  0.137784D+00  0.658333D+00
      4   0.255832D+01 -0.291481D+01  0.110125D+02 -0.942162D+00  0.641565D+01
      5  -0.194702D+00 -0.345842D+00 -0.600681D-01  0.156488D+01 -0.146892D+00
      6  -0.518881D+00 -0.532307D+00  0.123356D+01 -0.154299D+01  0.144955D+00
                86            87            88            89            90 
      1  -0.527855D+02  0.514498D+01 -0.132081D+01  0.630297D+01 -0.316331D+01
      2   0.700610D+02 -0.563315D+01  0.129154D+01 -0.744462D+01  0.385027D+01
      3  -0.172755D+02  0.488167D+00  0.292750D-01  0.114166D+01 -0.686962D+00
      4  -0.848845D+01  0.475291D+00 -0.787723D+00  0.146002D+01 -0.170894D+01
      5  -0.185453D+01 -0.457926D+00  0.904752D+00 -0.114478D+01  0.540110D+00
      6  -0.420162D+01  0.817441D+01  0.584265D+00  0.430201D+01 -0.183981D+01
                91            92            93            94            95 
      1  -0.899597D+01 -0.664395D+01  0.931063D+01 -0.916431D+01  0.146564D+02
      2   0.165027D+02  0.640302D+01  0.576572D+00  0.114938D+02 -0.195975D+02
      3  -0.750674D+01  0.240934D+00 -0.988721D+01 -0.232951D+01  0.494113D+01
      4  -0.377790D+01  0.153884D+01 -0.397927D+01 -0.303823D+01  0.386383D+02
      5  -0.617765D-01 -0.558934D+01 -0.245808D+02 -0.190817D+02 -0.555707D+01
      6  -0.541455D+01 -0.167596D+01 -0.507488D+00 -0.332242D+00  0.955872D+01
                96            97            98            99           100 
      1  -0.110224D+02  0.477452D+01 -0.521895D+01 -0.247865D+02 -0.603176D+02
      2   0.128131D+02  0.459323D+01  0.534254D+01  0.185354D+02  0.333872D+02
      3  -0.179070D+01 -0.936775D+01 -0.123586D+00  0.625102D+01  0.269304D+02
      4  -0.541529D+01 -0.960432D+01 -0.409269D+01 -0.454273D+01  0.260168D+02
      5  -0.606818D+01 -0.576217D+02 -0.733283D+01 -0.290828D+01 -0.321881D+02
      6  -0.143560D+01 -0.219035D+00 -0.507763D+00 -0.465311D+01  0.124768D+02
               101           102           103           104           105 
      1   0.191417D+02 -0.309230D+02  0.346464D+02  0.814172D+00 -0.249895D+00
      2  -0.101626D+02  0.118850D+01 -0.256362D+02 -0.724910D+01 -0.108999D+02
      3  -0.897906D+01  0.297345D+02 -0.901017D+01  0.643493D+01  0.111498D+02
      4  -0.172474D+01  0.339979D+01 -0.456194D+01 -0.400467D+02 -0.163234D+01
      5   0.859471D+01  0.189710D+02  0.234280D+02 -0.492081D+00  0.189416D+02
      6  -0.409807D+00  0.368641D+00 -0.445169D+00 -0.174999D+02 -0.243167D+00
               106           107           108           109           110 
      1  -0.703785D+01 -0.296208D+01  0.375378D+02 -0.966225D+02 -0.132811D+02
      2  -0.127767D+02 -0.516870D+01 -0.111088D+02  0.428622D+02  0.221620D+01
      3   0.198146D+02  0.813078D+01 -0.264290D+02  0.537603D+02  0.110649D+02
      4   0.592617D+01  0.144890D+01  0.152168D+02 -0.198495D+02 -0.181178D+02
      5   0.393717D+02  0.148069D+02  0.115154D+02  0.145294D+02  0.629903D+01
      6   0.354488D+01  0.127145D+01  0.114627D+02  0.637121D+01  0.189750D+01
               111           112           113           114           115 
      1   0.496524D+01 -0.234354D+02 -0.110119D+02  0.566584D+01 -0.178149D+02
      2  -0.242829D+01  0.640062D+01  0.108242D+02 -0.269284D+01  0.135783D+02
      3  -0.253694D+01  0.170348D+02  0.187669D+00 -0.297301D+01  0.423657D+01
      4   0.390436D+01  0.107905D+01 -0.171685D+02 -0.245876D+00  0.599899D+01
      5  -0.680538D+01  0.125264D+02  0.152383D+01 -0.311847D+01  0.226583D+02
      6  -0.294702D+01  0.265500D+01  0.929904D+00  0.698309D+00  0.102469D+01
               116           117           118           119           120 
      1   0.525661D+01  0.222492D+02 -0.738491D+01 -0.692365D+01 -0.584051D+00
      2  -0.276703D+01 -0.540696D+01  0.891322D+01  0.273795D+01  0.263112D+00
      3  -0.248959D+01 -0.168422D+02 -0.152831D+01  0.418571D+01  0.320939D+00
      4  -0.106495D+01  0.187380D+01 -0.974927D+01  0.755459D+01 -0.798420D+00
      5   0.280609D+01 -0.919042D+01  0.225029D+00 -0.128443D+01  0.676297D+01
      6  -0.458029D+01 -0.255957D+01 -0.256256D+01  0.768049D+00 -0.175054D+00
               121           122           123           124           125 
      1  -0.847619D+01 -0.178248D+02  0.539853D+01 -0.158860D+01  0.223085D+01
      2   0.439312D-01  0.299519D+02 -0.426083D+01  0.110719D+01 -0.626807D+00
      3   0.843226D+01 -0.121271D+02 -0.113770D+01  0.481413D+00 -0.160405D+01
      4   0.160169D+02 -0.468801D+02  0.544604D+01 -0.627969D+00  0.424945D+01
      5  -0.827577D+00  0.517090D+01 -0.108311D+02  0.935393D+01 -0.620489D+01
      6   0.217697D+01 -0.108559D+02  0.617067D+01 -0.186381D+01  0.641252D+01
               126           127           128           129           130 
      1  -0.391489D+00  0.104359D+03 -0.136693D+02  0.196640D+02 -0.243298D+02
      2   0.474081D+00 -0.620384D+02  0.693825D+01 -0.164783D+02  0.140401D+02
      3  -0.825924D-01 -0.423208D+02  0.673107D+01 -0.318569D+01  0.102897D+02
      4  -0.659304D+01 -0.198469D+02  0.152378D+02 -0.369689D+01  0.209383D+02
      5   0.428118D+01  0.583579D+02 -0.656635D+01  0.267688D+02 -0.167079D+02
      6  -0.251799D+01 -0.784740D+01  0.602340D+01 -0.188266D+01  0.786813D+01
               131           132           133           134           135 
      1   0.120754D+02 -0.347934D+01  0.950435D+01 -0.585577D+00  0.799792D+01
      2  -0.472509D+01  0.518363D+01 -0.947198D+01  0.201767D+01 -0.832132D+01
      3  -0.735031D+01 -0.170429D+01 -0.323771D-01 -0.143209D+01  0.323403D+00
      4  -0.576421D+01  0.482211D+01 -0.294070D+01  0.152630D+01 -0.534021D+01
      5   0.735124D+01 -0.107245D+02  0.187049D+02 -0.537010D+01  0.937165D+01
      6  -0.205104D+01  0.320517D+01 -0.248541D+01  0.141104D+01 -0.241027D+01
               136           137           138           139           140 
      1  -0.792774D+01 -0.499061D+01  0.238198D+02 -0.680919D+01 -0.786646D+01
      2  -0.711186D+00  0.165268D+01  0.153054D+01  0.447766D+01  0.135568D+01
      3   0.863893D+01  0.333793D+01 -0.253504D+02  0.233153D+01  0.651078D+01
      4  -0.386155D+01 -0.297486D+01  0.118781D+01  0.108400D+01 -0.655313D+00
      5   0.163606D+01 -0.108400D+01 -0.112542D+02 -0.496939D+01  0.576802D+01
      6  -0.270426D+01 -0.364774D+01  0.225469D+01 -0.408354D+00 -0.286150D+01
               141           142           143           144           145 
      1   0.756950D+01  0.106669D+02  0.447426D+01 -0.417112D+02  0.897843D+01
      2   0.296973D+01 -0.323511D+01  0.159875D+01 -0.143275D+02 -0.224696D+01
      3  -0.105392D+02 -0.743177D+01 -0.607300D+01  0.560388D+02 -0.673147D+01
      4   0.795374D+01 -0.349305D+00  0.631770D+01 -0.767089D+01  0.750985D+01
      5  -0.111762D+02  0.444141D+01 -0.526988D+01  0.407677D+02  0.414063D+01
      6   0.943329D+01 -0.181030D+00  0.716246D+01 -0.750023D+01  0.262412D+01
               146           147           148           149           150 
      1   0.649597D+01  0.414475D+01  0.118369D+02 -0.495248D+01 -0.145191D+01
      2  -0.266089D+01 -0.200860D+00 -0.614209D+01  0.145655D+02 -0.284055D+01
      3  -0.383508D+01 -0.394389D+01 -0.569480D+01 -0.961305D+01  0.429247D+01
      4   0.712753D+01  0.988329D+00  0.150033D+02  0.517727D+02  0.910957D+01
      5   0.286477D+01 -0.507709D+00  0.112534D+02  0.932059D+01  0.135211D+02
      6   0.183862D+01  0.257972D+00  0.572736D+01  0.247793D+02  0.834658D+01
               151           152           153           154           155 
      1  -0.143667D+01 -0.156393D+01 -0.571840D+01  0.199263D+03  0.219696D+02
      2   0.218648D+01 -0.131088D+01  0.218595D+01 -0.953564D+02 -0.833900D+01
      3  -0.749804D+00  0.287481D+01  0.353245D+01 -0.103906D+03 -0.136306D+02
      4   0.959024D+00  0.923563D+00  0.543490D+01  0.220008D+02  0.357934D+02
      5  -0.142084D+01  0.545759D+01 -0.126844D+00 -0.363046D+02 -0.410506D+01
      6   0.117851D+01  0.484124D+01  0.249550D+01 -0.492782D+01 -0.538689D+01
               156           157           158           159           160 
      1  -0.796015D+01  0.322950D+02  0.334414D+02 -0.188343D+01 -0.121718D+02
      2   0.895979D+01 -0.140355D+02 -0.121745D+02  0.212665D+01  0.108421D+02
      3  -0.999640D+00 -0.182596D+02 -0.212670D+02 -0.243216D+00  0.132963D+01
      4  -0.125341D+01  0.471315D+02  0.249094D+02 -0.365810D+01 -0.331016D+01
      5   0.379611D+02 -0.881412D+01 -0.807275D+01  0.976465D+01  0.382717D+02
      6  -0.268633D+00 -0.920022D+01 -0.488294D+01  0.515118D+01  0.197559D+01
               161           162           163           164           165 
      1  -0.169515D+01  0.218821D+02  0.445231D+02  0.379092D+01 -0.148837D+02
      2   0.138209D+01 -0.156926D+02 -0.318937D+02 -0.131709D+01  0.911261D+01
      3   0.313059D+00 -0.618944D+01 -0.126294D+02 -0.247384D+01  0.577107D+01
      4  -0.252565D+01  0.518538D+01 -0.116783D+01  0.732430D+01  0.347202D+01
      5   0.696277D+01 -0.788028D+01 -0.314365D+02  0.140594D+01  0.183083D+02
      6   0.488043D+01 -0.177294D+01  0.312549D+00 -0.123605D+01 -0.885501D+00
               166           167           168           169           170 
      1   0.118416D+02 -0.912666D+01 -0.317847D+01  0.146090D+00 -0.299318D+01
      2  -0.615643D+01  0.369557D+01  0.233096D+01  0.241528D+01  0.777973D+00
      3  -0.568513D+01  0.543109D+01  0.847519D+00 -0.256137D+01  0.221521D+01
      4   0.339640D+01 -0.475007D+01 -0.109453D+02  0.451971D+01 -0.560383D+01
      5  -0.389921D+01 -0.103696D+02 -0.270445D+00  0.154117D+02 -0.622142D+01
      6  -0.769191D+00  0.460303D+01  0.120292D+02 -0.332973D+01  0.118434D+02
               171           172           173           174           175 
      1  -0.320076D+02 -0.461918D+02 -0.545230D+01 -0.530969D+01 -0.925415D+01
      2  -0.111161D+02  0.291765D+02  0.283122D+01 -0.440995D+01  0.556782D+01
      3   0.431237D+02  0.170153D+02  0.262108D+01  0.971964D+01  0.368633D+01
      4  -0.764985D+01  0.180031D+01 -0.435414D+01 -0.248671D+01  0.883805D+00
      5  -0.420723D+02  0.244744D+02 -0.105703D+01 -0.137361D+02  0.273176D+01
      6   0.929372D+01  0.490397D+00  0.379622D+01  0.349025D+01  0.395801D+00
               176           177           178           179           180 
      1  -0.540734D+01 -0.190566D+01  0.951417D+01 -0.453936D+00 -0.821557D+01
      2   0.383084D+01  0.620017D+00 -0.109562D+02  0.134866D+00  0.463505D+01
      3   0.157649D+01  0.128565D+01  0.144202D+01  0.319070D+00  0.358052D+01
      4  -0.197291D+01 -0.295464D+01 -0.151143D+01  0.444294D+00  0.722167D+00
      5  -0.213039D+01 -0.211991D+01 -0.114350D+02  0.294117D+00  0.364349D+01
      6   0.210291D+01  0.322488D+01  0.254330D+01  0.764124D+00  0.689698D-01
               181           182           183           184           185 
      1  -0.363120D+01 -0.524175D+02  0.327872D+01  0.919910D+02  0.264521D+02
      2   0.431726D+01  0.369948D+02 -0.657154D+00 -0.648396D+02 -0.236455D+02
      3  -0.686059D+00  0.154227D+02 -0.262157D+01 -0.271514D+02 -0.280652D+01
      4  -0.199570D+02  0.407946D+02 -0.649985D+01  0.133775D+02 -0.407416D+02
      5  -0.463471D+01 -0.846989D+01  0.163318D+02  0.596583D+01  0.779894D+01
      6  -0.391050D+01 -0.283737D+01  0.812041D+01  0.615273D+01  0.281758D+01
               186           187           188           189           190 
      1   0.340196D+01 -0.140255D+02 -0.848243D+01  0.412193D+01  0.156081D+03
      2  -0.222569D+01  0.127218D+02  0.688968D+01 -0.895890D+01 -0.792778D+02
      3  -0.117627D+01  0.130365D+01  0.159275D+01  0.483697D+01 -0.768034D+02
      4   0.796178D+01 -0.250326D+01  0.106548D+02  0.159974D+02 -0.142626D+01
      5   0.678411D+01  0.303865D+02  0.143521D+02 -0.250886D+01 -0.580105D+00
      6   0.290590D+01  0.156247D+02  0.762490D+01  0.266045D+01 -0.155612D+01
               191           192           193           194           195 
      1   0.190302D+02  0.782564D+01 -0.516527D+02 -0.244981D+02  0.139532D+01
      2  -0.860386D+01 -0.294090D+01  0.447186D+02  0.285264D+02 -0.305327D+01
      3  -0.104264D+02 -0.488474D+01  0.693405D+01 -0.402827D+01  0.165795D+01
      4   0.339575D+02 -0.302937D+01 -0.155819D+02  0.618090D+02 -0.816875D+01
      5  -0.283084D+01  0.196633D+01  0.357621D+01 -0.810246D+01 -0.216580D+00
      6  -0.227143D+01 -0.286661D+01 -0.693669D+01 -0.371359D+01 -0.324474D+01
               196           197           198           199           200 
      1   0.105427D+02  0.651097D+01  0.247860D+02 -0.116685D+03  0.680847D-01
      2  -0.809817D+01 -0.555000D+01 -0.221741D+02  0.448635D+02 -0.592947D+01
      3  -0.244457D+01 -0.960972D+00 -0.261192D+01  0.718220D+02  0.586139D+01
      4   0.733571D+01 -0.415820D+01 -0.160253D+01 -0.110251D+01 -0.355958D+02
      5   0.497941D+02  0.314138D+01  0.373595D+01 -0.212062D+01  0.820152D+01
      6  -0.210674D+01  0.321126D+01  0.166487D+01  0.693066D+01  0.208097D+00
               201           202           203           204           205 
      1  -0.703817D+01 -0.733657D+02 -0.249546D+01 -0.661181D+01  0.122540D-01
      2   0.352114D+01  0.444863D+02 -0.116872D+02  0.552919D+01 -0.225144D+01
      3   0.351703D+01  0.288794D+02  0.141826D+02  0.108262D+01  0.223918D+01
      4   0.610293D+01  0.194412D+01 -0.173359D+02 -0.165373D+01  0.199959D+01
      5   0.270109D+01 -0.228908D+01 -0.218915D+01 -0.869909D+01  0.371238D+00
      6   0.917766D+00 -0.998473D+00  0.588703D+01  0.455360D+01 -0.157159D+01
               206           207           208           209           210 
      1   0.570529D+00 -0.208413D+02 -0.238809D+02 -0.276724D+02 -0.286726D+01
      2   0.359403D+01  0.408364D+01  0.101272D+02  0.141765D+02 -0.723583D-01
      3  -0.416456D+01  0.167577D+02  0.137537D+02  0.134959D+02  0.293962D+01
      4  -0.741352D+01 -0.204849D+02 -0.224871D+02  0.104345D+02  0.365046D+00
      5  -0.227595D+02  0.302517D+01  0.117874D+01  0.699516D+00  0.279204D+02
      6   0.159549D+02 -0.104624D+01  0.266559D+00  0.203676D+01  0.282253D+01
               211           212           213           214           215 
      1   0.715350D+01  0.104498D+02 -0.159108D+01 -0.477992D+01 -0.259795D+01
      2  -0.896894D+01 -0.204705D+01  0.136541D+01  0.125018D+01  0.219958D+01
      3   0.181544D+01 -0.840271D+01  0.225665D+00  0.352974D+01  0.398376D+00
      4   0.340194D+02 -0.214385D+02  0.428593D+01 -0.349915D+01  0.146117D+01
      5  -0.401601D+01  0.267493D+01  0.630641D+01  0.984014D+01 -0.625030D+01
      6   0.167396D+01 -0.535272D+00  0.719458D+01 -0.366625D+01  0.480611D+01
               216           217           218           219           220 
      1  -0.562886D+00 -0.443020D+02  0.492367D+02 -0.562325D+01  0.549597D+02
      2  -0.247784D+00  0.251326D+02 -0.251796D+02  0.320143D+01 -0.253136D+02
      3   0.810670D+00  0.191694D+02 -0.240571D+02  0.242182D+01 -0.296461D+02
      4  -0.713236D+01  0.484051D+02 -0.109397D+02  0.794438D+01 -0.395936D+02
      5   0.380920D+01 -0.649093D+01  0.826121D+01 -0.184273D+02  0.118114D+02
      6  -0.154687D+01  0.286668D+01 -0.384007D+00 -0.267553D+01 -0.260158D+01
               221           222           223           224           225 
      1  -0.163652D+02  0.151937D+02 -0.646199D+01  0.125918D+02 -0.101821D+02
      2   0.930455D+01 -0.671932D+01  0.240377D+01 -0.603607D+01  0.646233D+01
      3   0.706063D+01 -0.847439D+01  0.405823D+01 -0.655576D+01  0.371973D+01
      4  -0.206999D+02 -0.126891D+02  0.103514D+02 -0.890137D+01 -0.473564D+02
      5  -0.118006D+02 -0.691521D+02 -0.325720D+02 -0.485952D+02  0.152951D+02
      6  -0.366649D+01 -0.129892D+02 -0.918836D+01 -0.964557D+01 -0.109562D+01
               226           227           228           229           230 
      1  -0.472257D+01  0.124458D+02 -0.194929D+01  0.262355D+01 -0.508377D+02
      2   0.590055D+01 -0.110719D+02  0.127117D+01 -0.110403D+01  0.646126D+02
      3  -0.117797D+01 -0.137389D+01  0.678121D+00 -0.151952D+01 -0.137749D+02
      4   0.268576D+01  0.506910D+01  0.574191D-02  0.446747D+01  0.271851D+02
      5  -0.562742D+00  0.197451D+00  0.793308D+00 -0.366075D+00 -0.519748D+01
      6  -0.106102D+01  0.190572D+01 -0.152323D+01 -0.190273D+00 -0.964331D+01
               231           232           233           234           235 
      1   0.556614D+01 -0.892105D+00  0.656279D+01 -0.299739D+01  0.478559D+02
      2  -0.515801D+01  0.598539D+00 -0.681488D+01  0.353155D+01 -0.175601D+02
      3  -0.408125D+00  0.293566D+00  0.252092D+00 -0.534159D+00 -0.302958D+02
      4  -0.305419D+01  0.101407D+00 -0.277301D+01 -0.581843D+00  0.377675D+02
      5   0.331278D+01  0.145093D+01  0.153168D+00 -0.133374D+00 -0.903423D+00
      6   0.824704D+01  0.103215D+00  0.439721D+01 -0.194808D+01  0.101383D+00
               236           237           238           239           240 
      1   0.162590D+02  0.146790D+01  0.232427D+02  0.114801D+02 -0.197438D+00
      2  -0.169272D+01 -0.649431D+00 -0.575490D+00  0.743698D+01  0.299613D+00
      3  -0.145663D+02 -0.818465D+00 -0.226672D+02 -0.189171D+02 -0.102175D+00
      4   0.273772D+02  0.703059D-01  0.410401D+02  0.390694D+02 -0.495863D+00
      5  -0.139174D+01  0.457257D+01 -0.314853D+01 -0.249328D+01  0.560917D+01
      6  -0.206283D+00  0.241496D+01 -0.121252D+01 -0.842940D+00  0.401977D+01
               241           242           243           244           245 
      1   0.162605D+01 -0.263228D+00 -0.686710D+00 -0.155508D+01 -0.566428D+01
      2  -0.164399D+01 -0.350269D+00  0.103282D+01  0.527055D+01 -0.141559D+01
      3   0.179415D-01  0.613497D+00 -0.346111D+00 -0.371546D+01  0.707988D+01
      4  -0.151515D+01 -0.145775D+01  0.270920D+01 -0.156724D+02  0.173181D+02
      5  -0.998579D+00  0.227955D+01 -0.699992D+00  0.127658D+01 -0.187883D+01
      6  -0.161690D+00  0.183195D+01 -0.452116D+00 -0.100590D+01  0.139072D+01
               246           247           248           249           250 
      1   0.214582D+00 -0.123006D+01 -0.206199D+02  0.244065D+01 -0.221989D+00
      2   0.182434D+00 -0.843924D+01  0.366696D+02 -0.296136D+01  0.671785D+00
      3  -0.397016D+00  0.966931D+01 -0.160497D+02  0.520715D+00 -0.449796D+00
      4  -0.264269D+01  0.241306D+02 -0.517440D+02  0.588964D+01 -0.345840D+01
      5   0.250886D+01 -0.194794D+01  0.342913D+01 -0.617855D+01  0.239215D+01
      6  -0.142259D+01  0.172721D+01 -0.503614D+01  0.707750D+01 -0.281141D+01
               251           252           253           254           255 
      1   0.152157D+01 -0.163365D+01  0.191295D+02  0.591546D+01 -0.183465D+02
      2  -0.301503D+01  0.314651D+01 -0.103062D+02 -0.278067D+01  0.918122D+01
      3   0.149346D+01 -0.151286D+01 -0.882326D+01 -0.313478D+01  0.916526D+01
      4   0.660917D+01 -0.270411D+01  0.732871D+01  0.521865D+01 -0.721289D+01
      5  -0.134629D+01  0.133017D+01 -0.215058D+02 -0.693733D+01  0.886294D+01
      6   0.365580D+01 -0.189463D+01 -0.304782D+01 -0.923882D+00  0.511418D+00
               256           257           258           259           260 
      1   0.180829D+02  0.111266D+02 -0.878802D+01 -0.488318D+02 -0.101705D+02
      2  -0.880653D+01 -0.350272D+01  0.353800D+01  0.279216D+02  0.502364D+01
      3  -0.927639D+01 -0.762387D+01  0.525002D+01  0.209102D+02  0.514684D+01
      4   0.255136D+02  0.254240D+02 -0.181206D+02 -0.199216D+02 -0.203678D+02
      5  -0.170234D+02 -0.187855D+02  0.292549D+02  0.407865D+02  0.273488D+02
      6  -0.326843D+01 -0.442591D+01  0.737573D+01  0.642533D+01  0.688895D+01
               261           262           263           264           265 
      1   0.153603D+02  0.602614D+01  0.660639D+01  0.151207D+02  0.210430D+02
      2  -0.144931D+02 -0.376009D+01 -0.326353D+01 -0.709273D+01 -0.107006D+02
      3  -0.867201D+00 -0.226605D+01 -0.334286D+01 -0.802799D+01 -0.103424D+02
      4   0.261837D+02  0.652750D+01  0.354717D+01  0.352602D+01  0.289941D+02
      5  -0.631104D+02  0.150883D+02  0.319632D+01  0.262535D+01  0.168584D+02
      6  -0.828728D+01  0.284978D+01  0.234247D+00 -0.328510D+00  0.609814D+01
               266           267           268           269           270 
      1   0.775802D+01  0.284392D+01  0.345740D+02  0.284457D+01  0.618694D+01
      2  -0.977390D+00 -0.194694D+01 -0.201770D+02 -0.255301D+01 -0.109936D+02
      3  -0.678063D+01 -0.896982D+00 -0.143970D+02 -0.291563D+00  0.480670D+01
      4   0.390078D+02  0.272238D+02  0.168620D+02  0.254788D+02  0.305383D+02
      5   0.266469D+02  0.352989D+02  0.327476D+02  0.308545D+02  0.486020D+02
      6   0.100665D+02  0.107585D+02  0.742623D+01  0.990873D+01  0.113342D+02
               271           272           273           274           275 
      1   0.167033D+03 -0.387645D+02  0.138812D+02 -0.761893D+02  0.303085D+02
      2  -0.859731D+02  0.194220D+02 -0.806585D+01  0.379284D+02 -0.136600D+02
      3  -0.810596D+02  0.193425D+02 -0.581535D+01  0.382610D+02 -0.166484D+02
      4  -0.458876D+02  0.234764D+02 -0.433318D+01  0.399456D+02 -0.295131D+02
      5   0.171050D+02 -0.426715D+01  0.177596D+02 -0.774296D+01  0.509840D+01
      6  -0.180357D+01  0.101595D+01 -0.951654D+00  0.191494D+01 -0.133460D+01
               276           277           278           279 
      1  -0.635385D+01  0.186179D+02 -0.457836D+01  0.189808D+02
      2   0.366589D+01 -0.110187D+02  0.267741D+01 -0.110572D+02
      3   0.268796D+01 -0.759912D+01  0.190094D+01 -0.792362D+01
      4   0.523948D+01 -0.544867D+01  0.458598D+01 -0.254004D+01
      5  -0.682553D+01  0.268742D+02 -0.235008D+01  0.568372D+01
      6   0.248866D+01 -0.174071D+01  0.281927D+01 -0.610314D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 00:46:44 2021, MaxMem=  5368709120 cpu:           74201.7 elap:            9277.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50739 -19.50510 -19.45219 -10.57965 -10.52039
 Alpha  occ. eigenvalues --  -10.50556 -10.47453 -10.47112 -10.46871 -10.46558
 Alpha  occ. eigenvalues --  -10.46483 -10.46405 -10.46289 -10.46045 -10.45949
 Alpha  occ. eigenvalues --  -10.44992 -10.43855  -1.23464  -1.20792  -1.14428
 Alpha  occ. eigenvalues --   -1.03434  -0.98844  -0.94108  -0.92453  -0.88198
 Alpha  occ. eigenvalues --   -0.87945  -0.83116  -0.79094  -0.77174  -0.74493
 Alpha  occ. eigenvalues --   -0.74010  -0.72511  -0.67148  -0.66121  -0.65426
 Alpha  occ. eigenvalues --   -0.62419  -0.60896  -0.60135  -0.59860  -0.57984
 Alpha  occ. eigenvalues --   -0.57435  -0.56711  -0.54902  -0.54474  -0.54240
 Alpha  occ. eigenvalues --   -0.53467  -0.53033  -0.51507  -0.50783  -0.48745
 Alpha  occ. eigenvalues --   -0.47829  -0.47721  -0.46680  -0.45627  -0.44258
 Alpha  occ. eigenvalues --   -0.43886  -0.43222  -0.40758  -0.38747  -0.34458
 Alpha  occ. eigenvalues --   -0.31050
 Alpha virt. eigenvalues --    0.00684   0.03198   0.03892   0.04113   0.04918
 Alpha virt. eigenvalues --    0.06046   0.06460   0.06953   0.07933   0.08267
 Alpha virt. eigenvalues --    0.08650   0.09050   0.09996   0.10163   0.10508
 Alpha virt. eigenvalues --    0.11758   0.12737   0.13246   0.13380   0.13753
 Alpha virt. eigenvalues --    0.14458   0.15731   0.15770   0.16256   0.16520
 Alpha virt. eigenvalues --    0.17116   0.17751   0.18693   0.19432   0.19514
 Alpha virt. eigenvalues --    0.19980   0.20161   0.20562   0.21027   0.21972
 Alpha virt. eigenvalues --    0.22642   0.22993   0.23479   0.23902   0.24465
 Alpha virt. eigenvalues --    0.24778   0.25544   0.26174   0.26837   0.27050
 Alpha virt. eigenvalues --    0.27374   0.28097   0.28673   0.28759   0.29247
 Alpha virt. eigenvalues --    0.29517   0.29937   0.30854   0.31042   0.31169
 Alpha virt. eigenvalues --    0.32102   0.32869   0.33044   0.33448   0.33754
 Alpha virt. eigenvalues --    0.34136   0.34366   0.34746   0.35228   0.35435
 Alpha virt. eigenvalues --    0.35656   0.35806   0.36656   0.36729   0.36847
 Alpha virt. eigenvalues --    0.37339   0.38004   0.38464   0.39051   0.39196
 Alpha virt. eigenvalues --    0.39554   0.39893   0.40039   0.40468   0.40759
 Alpha virt. eigenvalues --    0.40848   0.41166   0.41440   0.41831   0.42025
 Alpha virt. eigenvalues --    0.42448   0.42685   0.42859   0.43499   0.43697
 Alpha virt. eigenvalues --    0.44012   0.44290   0.44540   0.44987   0.45514
 Alpha virt. eigenvalues --    0.45765   0.45934   0.46671   0.46925   0.47334
 Alpha virt. eigenvalues --    0.47419   0.47951   0.48605   0.48926   0.49414
 Alpha virt. eigenvalues --    0.49884   0.50596   0.51125   0.51451   0.51616
 Alpha virt. eigenvalues --    0.52082   0.52532   0.52727   0.53388   0.53823
 Alpha virt. eigenvalues --    0.54364   0.54658   0.54849   0.55471   0.55658
 Alpha virt. eigenvalues --    0.55911   0.56001   0.57068   0.57334   0.57586
 Alpha virt. eigenvalues --    0.57772   0.58706   0.58775   0.59651   0.60331
 Alpha virt. eigenvalues --    0.60584   0.60978   0.61381   0.62314   0.62982
 Alpha virt. eigenvalues --    0.63141   0.63940   0.64177   0.64816   0.65025
 Alpha virt. eigenvalues --    0.65467   0.66119   0.66737   0.66827   0.67555
 Alpha virt. eigenvalues --    0.68838   0.69421   0.70033   0.70315   0.70814
 Alpha virt. eigenvalues --    0.71028   0.71762   0.72625   0.73145   0.73461
 Alpha virt. eigenvalues --    0.73920   0.74118   0.74931   0.75307   0.75675
 Alpha virt. eigenvalues --    0.76421   0.76979   0.77515   0.77657   0.78191
 Alpha virt. eigenvalues --    0.78639   0.79258   0.79556   0.79973   0.81011
 Alpha virt. eigenvalues --    0.81809   0.82533   0.83423   0.84079   0.84872
 Alpha virt. eigenvalues --    0.85385   0.86849   0.87074   0.88682   0.89262
 Alpha virt. eigenvalues --    0.89978   0.90351   0.90479   0.92079   0.92457
 Alpha virt. eigenvalues --    0.93522   0.94277   0.95293   0.96004   0.96448
 Alpha virt. eigenvalues --    0.98043   0.98943   0.99788   1.00528   1.00959
 Alpha virt. eigenvalues --    1.02643   1.04002   1.04501   1.04631   1.05571
 Alpha virt. eigenvalues --    1.06244   1.07042   1.07511   1.07898   1.08642
 Alpha virt. eigenvalues --    1.08996   1.09199   1.09910   1.10699   1.11576
 Alpha virt. eigenvalues --    1.11836   1.12697   1.13788   1.14719   1.16370
 Alpha virt. eigenvalues --    1.16992   1.17464   1.18892   1.19983   1.20944
 Alpha virt. eigenvalues --    1.22053   1.22709   1.23320   1.24484   1.25061
 Alpha virt. eigenvalues --    1.25216   1.25961   1.28081   1.28948   1.29487
 Alpha virt. eigenvalues --    1.30902   1.32044   1.32559   1.33286   1.34173
 Alpha virt. eigenvalues --    1.35239   1.36104   1.36520   1.37331   1.38107
 Alpha virt. eigenvalues --    1.38774   1.41052   1.41497   1.43212   1.44475
 Alpha virt. eigenvalues --    1.44939   1.46677   1.47549   1.49854   1.52561
 Alpha virt. eigenvalues --    1.53255   1.53983   1.54437   1.56821   1.58303
 Alpha virt. eigenvalues --    1.58613   1.59259   1.60473   1.61164   1.63319
 Alpha virt. eigenvalues --    1.65987   1.67301   1.67612   1.68584   1.69306
 Alpha virt. eigenvalues --    1.70559   1.71009   1.72320   1.74390   1.75239
 Alpha virt. eigenvalues --    1.75765   1.76081   1.77010   1.78611   1.79856
 Alpha virt. eigenvalues --    1.80097   1.81946   1.82577   1.82882   1.83665
 Alpha virt. eigenvalues --    1.84903   1.86658   1.87311   1.89221   1.89855
 Alpha virt. eigenvalues --    1.90634   1.91759   1.94064   1.95459   1.95907
 Alpha virt. eigenvalues --    1.96681   1.97699   1.98090   1.98878   1.99613
 Alpha virt. eigenvalues --    2.00337   2.01448   2.01775   2.02970   2.04620
 Alpha virt. eigenvalues --    2.06466   2.06896   2.07256   2.08517   2.09628
 Alpha virt. eigenvalues --    2.10526   2.11189   2.11643   2.12196   2.13809
 Alpha virt. eigenvalues --    2.14579   2.14726   2.15729   2.16555   2.17883
 Alpha virt. eigenvalues --    2.18760   2.19321   2.20245   2.21809   2.22648
 Alpha virt. eigenvalues --    2.23063   2.24811   2.27087   2.27821   2.29373
 Alpha virt. eigenvalues --    2.31299   2.32900   2.33692   2.34807   2.35695
 Alpha virt. eigenvalues --    2.37611   2.39156   2.39864   2.40232   2.41292
 Alpha virt. eigenvalues --    2.42568   2.44688   2.47019   2.47095   2.49586
 Alpha virt. eigenvalues --    2.50693   2.51019   2.53713   2.54072   2.54656
 Alpha virt. eigenvalues --    2.55631   2.58199   2.59391   2.60728   2.61565
 Alpha virt. eigenvalues --    2.62576   2.62826   2.64329   2.66287   2.67042
 Alpha virt. eigenvalues --    2.71382   2.73641   2.75264   2.78215   2.78770
 Alpha virt. eigenvalues --    2.84332   2.87106   2.88380   2.93699   2.93826
 Alpha virt. eigenvalues --    2.97269   2.98319   2.99817   3.00233   3.00793
 Alpha virt. eigenvalues --    3.03384   3.03536   3.04831   3.05981   3.07238
 Alpha virt. eigenvalues --    3.09929   3.10158   3.11780   3.15848   3.16916
 Alpha virt. eigenvalues --    3.17717   3.18501   3.20137   3.21988   3.24343
 Alpha virt. eigenvalues --    3.24682   3.26937   3.27789   3.30105   3.33812
 Alpha virt. eigenvalues --    3.35210   3.37440   3.53315   3.54685   3.63233
 Alpha virt. eigenvalues --    3.66212   3.70896   3.85743   3.90206   4.03834
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.033624  -1.732727  -1.807695   0.297826  -0.365700  -0.140098
     2  C   -1.732727  13.450452   0.181619  -0.993571   0.320728  -1.655550
     3  C   -1.807695   0.181619  11.782231  -1.174049  -0.234772  -0.576741
     4  C    0.297826  -0.993571  -1.174049  14.221914  -2.176762   0.354410
     5  C   -0.365700   0.320728  -0.234772  -2.176762  10.613249  -0.940703
     6  C   -0.140098  -1.655550  -0.576741   0.354410  -0.940703  10.457331
     7  C   -1.470612  -0.787542  -0.656196   0.170374   0.110947   0.321248
     8  H   -0.974170   0.204134  -0.418967  -2.260494   0.229166   0.242376
     9  H    0.220550   0.049879  -0.010570  -1.549175   0.120892  -0.650905
    10  H    0.089649  -1.239847   0.240350   0.200122  -0.974537  -0.622667
    11  C    0.027016   0.045963  -0.787276   0.025327  -0.585993   0.047046
    12  C    0.009027   0.007017   0.007257  -0.002840  -0.081679   0.006739
    13  C    0.001654  -0.001715  -0.161747   0.309884  -0.210266  -0.017707
    14  H   -0.014110  -0.011121  -0.245591  -0.249046   0.164500   0.021804
    15  H   -0.000402  -0.000164  -0.028090  -0.001280  -0.016091  -0.000736
    16  H    0.000537   0.000630   0.069099  -0.062445   0.017316  -0.001354
    17  H    0.000823   0.002896   0.014976  -0.072418  -0.000737   0.004254
    18  O   -0.000004  -0.000357   0.041266  -0.032667   0.041750  -0.000345
    19  O   -0.002947  -0.001303   0.031769  -0.042036   0.006300   0.012083
    20  H    0.000362  -0.005705  -0.020192  -0.032271  -0.003176  -0.002189
    21  C    0.504463  -0.524660   0.112095  -0.004560   0.001726  -0.001507
    22  C   -0.583112  -0.076642   0.034058   0.011709   0.027364   0.239948
    23  C   -0.495844  -0.857286   0.135542   0.128891   0.053918  -0.891839
    24  O   -0.013190   0.089344   0.000493  -0.002800  -0.001910  -0.013960
    25  C    0.004962  -0.000505  -0.000168  -0.000152   0.000023   0.000002
    26  H   -0.195329   0.049539  -0.228589   0.024890  -0.008653  -0.033917
    27  H    0.054292   0.151844   0.015836   0.000645  -0.000845   0.000629
    28  H    0.040899  -0.100110  -0.003267  -0.019157   0.027320  -0.019804
    29  H    0.000765  -0.001188  -0.000017  -0.000009   0.000007  -0.000194
    30  H    0.000741  -0.001140  -0.000035  -0.000010   0.000007  -0.000208
    31  H   -0.001207   0.000041   0.000023  -0.000000  -0.000002   0.000065
               7          8          9         10         11         12
     1  C   -1.470612  -0.974170   0.220550   0.089649   0.027016   0.009027
     2  C   -0.787542   0.204134   0.049879  -1.239847   0.045963   0.007017
     3  C   -0.656196  -0.418967  -0.010570   0.240350  -0.787276   0.007257
     4  C    0.170374  -2.260494  -1.549175   0.200122   0.025327  -0.002840
     5  C    0.110947   0.229166   0.120892  -0.974537  -0.585993  -0.081679
     6  C    0.321248   0.242376  -0.650905  -0.622667   0.047046   0.006739
     7  C   10.370740  -0.284467  -0.007633  -0.007859  -0.002073  -0.000690
     8  H   -0.284467   4.380475   0.057420  -0.028392  -0.403714  -0.030356
     9  H   -0.007633   0.057420   3.946191  -0.854545  -0.317489  -0.027330
    10  H   -0.007859  -0.028392  -0.854545   4.219256   0.001658   0.002128
    11  C   -0.002073  -0.403714  -0.317489   0.001658   7.632787   0.460562
    12  C   -0.000690  -0.030356  -0.027330   0.002128   0.460562   4.237303
    13  C    0.001032  -0.101516  -0.015648   0.002700  -0.359480   0.006868
    14  H    0.003073   0.013497   0.039714  -0.001260   0.067379  -0.185348
    15  H   -0.000040  -0.007861  -0.003437  -0.000003   0.215958   0.217492
    16  H   -0.000537   0.024413  -0.010179   0.000350   0.113438   0.208836
    17  H    0.000115   0.003312   0.021255   0.000609   0.042486   0.260111
    18  O   -0.000110   0.010985  -0.006347  -0.000163  -0.106318  -0.015681
    19  O   -0.001725   0.016448  -0.003097   0.002465  -0.004209   0.009977
    20  H    0.001751  -0.000938  -0.012239   0.000488  -0.056687  -0.000397
    21  C   -0.396023   0.066389   0.000147  -0.019475  -0.000479   0.000022
    22  C    0.587870  -0.018706  -0.002498   0.053790  -0.000836  -0.000034
    23  C   -0.714674  -0.009960   0.009427  -0.305598  -0.003222   0.000068
    24  O   -0.033614   0.000371   0.000148  -0.000787   0.000024   0.000003
    25  C    0.020997  -0.000052  -0.000000   0.000001  -0.000003   0.000000
    26  H   -0.827729  -0.210566   0.000407   0.001190   0.002818  -0.000221
    27  H   -0.401073   0.000042   0.000004   0.000425  -0.000121   0.000002
    28  H    0.111249   0.002644  -0.002629  -0.116052  -0.000455   0.000023
    29  H   -0.000873  -0.000003   0.000000  -0.000013  -0.000000   0.000000
    30  H   -0.000401  -0.000003   0.000000  -0.000015  -0.000000  -0.000000
    31  H    0.000182   0.000000   0.000000   0.000002  -0.000000   0.000000
              13         14         15         16         17         18
     1  C    0.001654  -0.014110  -0.000402   0.000537   0.000823  -0.000004
     2  C   -0.001715  -0.011121  -0.000164   0.000630   0.002896  -0.000357
     3  C   -0.161747  -0.245591  -0.028090   0.069099   0.014976   0.041266
     4  C    0.309884  -0.249046  -0.001280  -0.062445  -0.072418  -0.032667
     5  C   -0.210266   0.164500  -0.016091   0.017316  -0.000737   0.041750
     6  C   -0.017707   0.021804  -0.000736  -0.001354   0.004254  -0.000345
     7  C    0.001032   0.003073  -0.000040  -0.000537   0.000115  -0.000110
     8  H   -0.101516   0.013497  -0.007861   0.024413   0.003312   0.010985
     9  H   -0.015648   0.039714  -0.003437  -0.010179   0.021255  -0.006347
    10  H    0.002700  -0.001260  -0.000003   0.000350   0.000609  -0.000163
    11  C   -0.359480   0.067379   0.215958   0.113438   0.042486  -0.106318
    12  C    0.006868  -0.185348   0.217492   0.208836   0.260111  -0.015681
    13  C    6.132845  -0.144518  -0.055559  -0.020190   0.059792   0.295926
    14  H   -0.144518   1.319843   0.029911  -0.040095  -0.008660  -0.016659
    15  H   -0.055559   0.029911   0.702061  -0.096446  -0.041107  -0.016118
    16  H   -0.020190  -0.040095  -0.096446   0.738405   0.005405   0.015824
    17  H    0.059792  -0.008660  -0.041107   0.005405   0.752420  -0.015043
    18  O    0.295926  -0.016659  -0.016118   0.015824  -0.015043   7.948114
    19  O    0.014542  -0.021904   0.005513   0.000546  -0.006277   0.058768
    20  H    0.122425   0.015134  -0.000782   0.001004  -0.000473  -0.014470
    21  C   -0.000220   0.000054  -0.000000   0.000019   0.000002   0.000012
    22  C    0.000280  -0.000160   0.000000  -0.000017  -0.000011  -0.000008
    23  C    0.000659  -0.000233   0.000000  -0.000001   0.000076  -0.000049
    24  O   -0.000005   0.000001   0.000000   0.000001   0.000000  -0.000000
    25  C    0.000000  -0.000000   0.000000  -0.000000   0.000000  -0.000000
    26  H   -0.000090   0.001961  -0.000010  -0.000013   0.000010  -0.000001
    27  H    0.000008  -0.000005   0.000000  -0.000000   0.000000  -0.000000
    28  H    0.000131  -0.000009   0.000000   0.000003   0.000002  -0.000006
    29  H    0.000000  -0.000000   0.000000   0.000000   0.000000  -0.000000
    30  H    0.000000  -0.000000   0.000000  -0.000000   0.000000  -0.000000
    31  H    0.000000  -0.000000   0.000000   0.000000   0.000000  -0.000000
              19         20         21         22         23         24
     1  C   -0.002947   0.000362   0.504463  -0.583112  -0.495844  -0.013190
     2  C   -0.001303  -0.005705  -0.524660  -0.076642  -0.857286   0.089344
     3  C    0.031769  -0.020192   0.112095   0.034058   0.135542   0.000493
     4  C   -0.042036  -0.032271  -0.004560   0.011709   0.128891  -0.002800
     5  C    0.006300  -0.003176   0.001726   0.027364   0.053918  -0.001910
     6  C    0.012083  -0.002189  -0.001507   0.239948  -0.891839  -0.013960
     7  C   -0.001725   0.001751  -0.396023   0.587870  -0.714674  -0.033614
     8  H    0.016448  -0.000938   0.066389  -0.018706  -0.009960   0.000371
     9  H   -0.003097  -0.012239   0.000147  -0.002498   0.009427   0.000148
    10  H    0.002465   0.000488  -0.019475   0.053790  -0.305598  -0.000787
    11  C   -0.004209  -0.056687  -0.000479  -0.000836  -0.003222   0.000024
    12  C    0.009977  -0.000397   0.000022  -0.000034   0.000068   0.000003
    13  C    0.014542   0.122425  -0.000220   0.000280   0.000659  -0.000005
    14  H   -0.021904   0.015134   0.000054  -0.000160  -0.000233   0.000001
    15  H    0.005513  -0.000782  -0.000000   0.000000   0.000000   0.000000
    16  H    0.000546   0.001004   0.000019  -0.000017  -0.000001   0.000001
    17  H   -0.006277  -0.000473   0.000002  -0.000011   0.000076   0.000000
    18  O    0.058768  -0.014470   0.000012  -0.000008  -0.000049  -0.000000
    19  O    7.999278   0.162295   0.000045  -0.000006  -0.000504   0.000005
    20  H    0.162295   0.550790  -0.000074  -0.000025   0.000208  -0.000007
    21  C    0.000045  -0.000074   8.242169  -1.420679  -0.177635   0.081816
    22  C   -0.000006  -0.000025  -1.420679   9.330903  -0.724415   0.167823
    23  C   -0.000504   0.000208  -0.177635  -0.724415  10.567630   0.040699
    24  O    0.000005  -0.000007   0.081816   0.167823   0.040699   8.297864
    25  C   -0.000000  -0.000000  -0.067237   0.079098  -0.002124   0.176882
    26  H   -0.000555   0.000319  -0.614617   0.119525   0.118006   0.012929
    27  H    0.000004  -0.000001  -0.369054  -0.680981   0.011374  -0.249513
    28  H   -0.000038  -0.000004   0.148034  -0.998134  -0.834504   0.066073
    29  H   -0.000000  -0.000000   0.012877  -0.041484   0.010534   0.074038
    30  H   -0.000000   0.000000   0.011458  -0.042132   0.011005   0.075367
    31  H    0.000000  -0.000000   0.040926   0.040173   0.002029  -0.196550
              25         26         27         28         29         30
     1  C    0.004962  -0.195329   0.054292   0.040899   0.000765   0.000741
     2  C   -0.000505   0.049539   0.151844  -0.100110  -0.001188  -0.001140
     3  C   -0.000168  -0.228589   0.015836  -0.003267  -0.000017  -0.000035
     4  C   -0.000152   0.024890   0.000645  -0.019157  -0.000009  -0.000010
     5  C    0.000023  -0.008653  -0.000845   0.027320   0.000007   0.000007
     6  C    0.000002  -0.033917   0.000629  -0.019804  -0.000194  -0.000208
     7  C    0.020997  -0.827729  -0.401073   0.111249  -0.000873  -0.000401
     8  H   -0.000052  -0.210566   0.000042   0.002644  -0.000003  -0.000003
     9  H   -0.000000   0.000407   0.000004  -0.002629   0.000000   0.000000
    10  H    0.000001   0.001190   0.000425  -0.116052  -0.000013  -0.000015
    11  C   -0.000003   0.002818  -0.000121  -0.000455  -0.000000  -0.000000
    12  C    0.000000  -0.000221   0.000002   0.000023   0.000000  -0.000000
    13  C    0.000000  -0.000090   0.000008   0.000131   0.000000   0.000000
    14  H   -0.000000   0.001961  -0.000005  -0.000009  -0.000000  -0.000000
    15  H    0.000000  -0.000010   0.000000   0.000000   0.000000   0.000000
    16  H   -0.000000  -0.000013  -0.000000   0.000003   0.000000  -0.000000
    17  H    0.000000   0.000010   0.000000   0.000002   0.000000   0.000000
    18  O   -0.000000  -0.000001  -0.000000  -0.000006  -0.000000  -0.000000
    19  O   -0.000000  -0.000555   0.000004  -0.000038  -0.000000  -0.000000
    20  H   -0.000000   0.000319  -0.000001  -0.000004  -0.000000   0.000000
    21  C   -0.067237  -0.614617  -0.369054   0.148034   0.012877   0.011458
    22  C    0.079098   0.119525  -0.680981  -0.998134  -0.041484  -0.042132
    23  C   -0.002124   0.118006   0.011374  -0.834504   0.010534   0.011005
    24  O    0.176882   0.012929  -0.249513   0.066073   0.074038   0.075367
    25  C    4.197883   0.001177  -0.055263  -0.017021   0.244985   0.245213
    26  H    0.001177   2.754166  -0.161615  -0.013661  -0.000654  -0.000659
    27  H   -0.055263  -0.161615   2.660809   0.014412  -0.031655  -0.031627
    28  H   -0.017021  -0.013661   0.014412   2.475931   0.003066   0.003135
    29  H    0.244985  -0.000654  -0.031655   0.003066   0.694023   0.032365
    30  H    0.245213  -0.000659  -0.031627   0.003135   0.032365   0.694051
    31  H    0.468493  -0.000108   0.053120  -0.002608  -0.180856  -0.181246
              31
     1  C   -0.001207
     2  C    0.000041
     3  C    0.000023
     4  C   -0.000000
     5  C   -0.000002
     6  C    0.000065
     7  C    0.000182
     8  H    0.000000
     9  H    0.000000
    10  H    0.000002
    11  C   -0.000000
    12  C    0.000000
    13  C    0.000000
    14  H   -0.000000
    15  H    0.000000
    16  H    0.000000
    17  H    0.000000
    18  O   -0.000000
    19  O    0.000000
    20  H   -0.000000
    21  C    0.040926
    22  C    0.040173
    23  C    0.002029
    24  O   -0.196550
    25  C    0.468493
    26  H   -0.000108
    27  H    0.053120
    28  H   -0.002608
    29  H   -0.180856
    30  H   -0.181246
    31  H    1.407671
 Mulliken charges:
               1
     1  C   -0.490045
     2  C   -0.562952
     3  C   -0.312652
     4  C   -1.070246
     5  C   -0.133384
     6  C   -0.137514
     7  C   -0.105706
     8  H    0.498494
     9  H    0.007688
    10  H    0.356030
    11  C   -0.054109
    12  C    0.911140
    13  C    0.139915
    14  H    0.261850
    15  H    0.097192
    16  H    0.035451
    17  H   -0.023822
    18  O   -0.188298
    19  O   -0.235433
    20  H    0.294852
    21  C    0.373965
    22  C   -0.102662
    23  C   -0.072181
    24  O   -0.571545
    25  C    0.702808
    26  H    0.210050
    27  H    0.018306
    28  H    0.234538
    29  H    0.184286
    30  H    0.184133
    31  H   -0.450150
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.490045
     2  C   -0.562952
     3  C    0.185843
     4  C   -1.070246
     5  C   -0.125696
     6  C    0.218517
     7  C    0.104344
    11  C    0.207741
    12  C    1.019962
    13  C    0.139915
    18  O   -0.188298
    19  O    0.059419
    21  C    0.392271
    22  C   -0.102662
    23  C    0.162357
    24  O   -0.571545
    25  C    0.621077
 Electronic spatial extent (au):  <R**2>=           5622.2991
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.9707    Y=             -2.1172    Z=              2.0046  Tot=              6.6446
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -111.6781   YY=            -90.7466   ZZ=           -106.0344
   XY=              3.3434   XZ=             11.7360   YZ=             -0.6831
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.8584   YY=             12.0731   ZZ=             -3.2147
   XY=              3.3434   XZ=             11.7360   YZ=             -0.6831
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -278.6712  YYY=              1.5632  ZZZ=             -2.8294  XYY=              4.6543
  XXY=            -45.6749  XXZ=             47.7496  XZZ=             -6.5831  YZZ=             -1.7631
  YYZ=             -1.9835  XYZ=             -0.2209
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6431.4134 YYYY=           -588.9788 ZZZZ=           -489.1839 XXXY=             67.6232
 XXXZ=            255.6869 YYYX=             -5.5757 YYYZ=             -7.6099 ZZZX=             15.7951
 ZZZY=              1.7501 XXYY=          -1118.8498 XXZZ=          -1191.5302 YYZZ=           -197.2648
 XXYZ=              1.8519 YYXZ=             -4.9967 ZZXY=             -2.1932
 N-N= 1.131804836625D+03 E-N=-4.044820511327D+03  KE= 7.579177587263D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 00:46:45 2021, MaxMem=  5368709120 cpu:               5.3 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30124803D+00-7.69776061D-01 6.94496309D-01
 Polarizability= 2.85439360D+02 1.18831820D+01 1.55814840D+02
                 1.11858391D+01-3.58322302D+00 1.12258383D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -5.8149   -5.8112        7.0145    7.0215
 2      5.8149    5.8112        1.8981    1.8968      -68.7593  -68.7616
 3     -7.0145   -7.0215       92.4128   92.4038       -1.8958   -1.8968
 4     -1.8981   -1.8968       -0.0000    0.0000       -7.0232   -7.0215
 5    -23.6535  -23.6422        7.0232    7.0215       -5.8119   -5.8112
 6      1.8958    1.8968        5.8119    5.8112        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       17.4337   17.4337       21.0646   21.0646
 2     -5.6903   -5.6903        0.0000    0.0000       21.0646   21.0646
 3     -5.6903   -5.6903       17.4337   17.4337        0.0000    0.0000
 4     17.4337   17.4337        5.6903    5.6903     -206.2849 -206.2849
 5    -21.0646  -21.0646      277.2115  277.2115       -5.6903   -5.6903
 6    -70.9266  -70.9266       21.0646   21.0646      -17.4337  -17.4337
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1176    0.0000       23.0771   23.2450      -27.5443  -28.0862
 2    -22.7736  -23.2450       -7.3569   -7.5871      276.0184  275.0465
 3     28.0613   28.0862     -369.3002 -369.6153        7.6324    7.5871
 4      7.5524    7.5871        0.0313    0.0000       28.1229   28.0862
 5     93.9509   94.5688      -28.3780  -28.0862       22.8975   23.2450
 6     -7.9852   -7.5871      -23.2049  -23.2450       -0.0724    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0819    0.0000       15.7990   15.1102       19.6961   19.1578
 2    -14.2331  -15.1102       82.6458   83.8833      -36.3513  -35.4712
 3    -19.3273  -19.1578        1.5566    1.6997      -84.0794  -83.8833
 4    -83.5385  -83.8833       -0.0265    0.0000      -19.1432  -19.1578
 5     35.5208   33.7715       20.0683   19.1578       14.8835   15.1102
 6     83.6170   83.8833      -15.2064  -15.1102       -0.3775    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -62.1446  -62.6235       -9.5080   -8.9080      -12.8986  -13.4357
 2   -200.9970 -201.9210        0.2238    0.7268      -12.3640  -13.4357
 3   -201.0874 -201.9210       -9.3675   -8.9080      -40.1769  -40.9628
 4     -9.4728   -9.6348      137.4661  139.2975      -36.0145  -35.0824
 5    -27.2341  -27.5272      -28.2783  -28.3842     -138.7171 -139.2975
 6     65.6446   63.4666       28.7151   27.5272        9.3154    9.6348
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4890   -1.7257   -0.0006    0.0008    0.0011    1.5985
 Low frequencies ---   27.6914   42.0774   50.3132
 Diagonal vibrational polarizability:
       50.8859867     104.3036288      49.6339502
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     27.6907                42.0773                50.3089
 Red. masses --      5.0562                 7.9050                 4.5123
 Frc consts  --      0.0023                 0.0082                 0.0067
 IR Inten    --      0.9793                 6.3711                 0.3352
 RamAct Fr= 1--      3.5071                 0.6201                 3.8503
  Dep-P Fr= 1--      0.7487                 0.6838                 0.7500
  Dep-U Fr= 1--      0.8563                 0.8122                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0000
 Beta2  Fr= 1--      0.5005                 0.0839                 0.5500
 AlphaG Fr= 1--      0.0022                 0.0112                -0.0001
 Gamma2 Fr= 1--      0.3993                -0.5633                 0.7406
 Delta2 Fr= 1--      0.2028                -0.1683                -0.0555
 Raman1 Fr= 1--      14.029                  2.481                 15.401
 ROA1   Fr= 1--      44.816                -59.465                 69.319
 CID1   Fr= 1--       3.195                -23.973                  4.501
 Raman2 Fr= 1--       6.006                  1.007                  6.601
 ROA2   Fr= 1--       7.960                -12.173                 18.218
 CID2   Fr= 1--       1.325                -12.084                  2.760
 Raman3 Fr= 1--      12.012                  2.015                 13.201
 ROA3   Fr= 1--      44.816                -59.465                 69.319
 CID3   Fr= 1--       3.731                -29.517                  5.251
 RC180  Fr= 1--       0.713                  0.624                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.03     0.00  -0.02   0.05    -0.01  -0.00   0.15
     2   6    -0.00  -0.03  -0.11     0.03  -0.02   0.04     0.01  -0.01   0.04
     3   6    -0.03  -0.04  -0.04    -0.00  -0.04   0.05    -0.01  -0.02   0.14
     4   6    -0.01  -0.06  -0.10     0.01  -0.06   0.03     0.00  -0.03   0.03
     5   6     0.01  -0.06  -0.18     0.04  -0.05   0.03     0.02  -0.04  -0.04
     6   6     0.01  -0.05  -0.19     0.04  -0.03   0.03     0.02  -0.03  -0.03
     7   6    -0.04  -0.00   0.06    -0.01   0.00   0.05    -0.02   0.01   0.23
     8   1    -0.04  -0.04   0.01    -0.02  -0.04   0.06    -0.02  -0.01   0.18
     9   1     0.02  -0.08  -0.23     0.05  -0.07   0.02     0.03  -0.05  -0.10
    10   1     0.03  -0.05  -0.24     0.06  -0.03   0.03     0.03  -0.03  -0.10
    11   6    -0.02  -0.06  -0.04     0.02  -0.06  -0.01     0.01  -0.05  -0.05
    12   6    -0.13  -0.15   0.07     0.03  -0.12   0.01     0.04  -0.13  -0.02
    13   6     0.07   0.07   0.05    -0.06   0.07  -0.03    -0.03   0.05  -0.05
    14   1    -0.01  -0.06  -0.13     0.02  -0.07  -0.08     0.02  -0.05  -0.13
    15   1    -0.13  -0.12   0.12     0.04  -0.12  -0.03     0.05  -0.11  -0.09
    16   1    -0.19  -0.24  -0.00     0.05  -0.17   0.00     0.08  -0.23  -0.02
    17   1    -0.17  -0.14   0.16     0.03  -0.12   0.06     0.00  -0.13   0.07
    18   8     0.05   0.13   0.17    -0.21   0.50  -0.08    -0.00  -0.01  -0.05
    19   8     0.19   0.12  -0.02     0.02  -0.32   0.00    -0.08   0.23  -0.05
    20   1     0.18   0.06  -0.11     0.09  -0.58   0.03    -0.09   0.25  -0.04
    21   6    -0.04   0.01   0.09    -0.00   0.02   0.02    -0.01   0.01   0.16
    22   6    -0.02   0.01   0.02     0.02   0.02  -0.00     0.01   0.00   0.01
    23   6    -0.00  -0.01  -0.08     0.04   0.01   0.01     0.02  -0.01  -0.02
    24   8    -0.02   0.02   0.05     0.03   0.05  -0.04     0.02  -0.00  -0.10
    25   6    -0.04   0.05   0.19     0.02   0.06  -0.10     0.03  -0.01  -0.23
    26   1    -0.05  -0.00   0.11    -0.03  -0.00   0.06    -0.04   0.02   0.33
    27   1    -0.05   0.03   0.16    -0.02   0.04   0.02    -0.02   0.03   0.21
    28   1     0.01  -0.02  -0.13     0.06   0.01  -0.00     0.03  -0.02  -0.13
    29   1     0.02   0.13   0.24    -0.04   0.05  -0.11    -0.12   0.03  -0.22
    30   1    -0.11  -0.01   0.24     0.06   0.06  -0.10     0.16  -0.04  -0.19
    31   1    -0.03   0.06   0.21     0.04   0.07  -0.15     0.04  -0.02  -0.39
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5110               125.0859               140.0679
 Red. masses --      3.8431                 5.1217                 4.1363
 Frc consts  --      0.0126                 0.0472                 0.0478
 IR Inten    --      4.2755                 0.0288                 0.2876
 RamAct Fr= 1--      0.9642                 0.5534                 1.1854
  Dep-P Fr= 1--      0.7354                 0.6472                 0.5396
  Dep-U Fr= 1--      0.8476                 0.7858                 0.7010
 Alpha2 Fr= 1--      0.0002                 0.0010                 0.0048
 Beta2  Fr= 1--      0.1362                 0.0725                 0.1385
 AlphaG Fr= 1--     -0.0061                 0.0092                 0.0124
 Gamma2 Fr= 1--     -0.1574                -0.6929                 1.6592
 Delta2 Fr= 1--      0.1389                -0.1240                 0.7599
 Raman1 Fr= 1--       3.857                  2.214                  4.741
 ROA1   Fr= 1--     -10.665                -70.490                183.603
 CID1   Fr= 1--      -2.765                -31.843                 38.723
 Raman2 Fr= 1--       1.635                  0.870                  1.662
 ROA2   Fr= 1--      -4.890                -15.639                 33.742
 CID2   Fr= 1--      -2.991                -17.980                 20.304
 Raman3 Fr= 1--       3.269                  1.740                  3.324
 ROA3   Fr= 1--     -10.665                -70.490                183.603
 CID3   Fr= 1--      -3.263                -40.523                 55.240
 RC180  Fr= 1--       0.695                  0.572                  0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.02  -0.09  -0.08    -0.02  -0.10   0.06
     2   6     0.02  -0.02  -0.04     0.05  -0.09  -0.12    -0.01  -0.09   0.11
     3   6     0.01  -0.01   0.07     0.02  -0.09   0.03    -0.00  -0.11  -0.01
     4   6     0.01  -0.01   0.09     0.01  -0.08   0.08    -0.01  -0.10  -0.05
     5   6     0.01  -0.01   0.09     0.03  -0.10  -0.04    -0.02  -0.09   0.02
     6   6     0.02  -0.01   0.02     0.05  -0.10  -0.16    -0.02  -0.09   0.11
     7   6     0.01  -0.01  -0.01    -0.01  -0.06  -0.09    -0.06  -0.07   0.04
     8   1     0.00  -0.01   0.07     0.01  -0.09   0.08     0.01  -0.11  -0.04
     9   1     0.02  -0.01   0.12     0.04  -0.11  -0.06    -0.02  -0.09  -0.00
    10   1     0.03  -0.02  -0.00     0.06  -0.11  -0.24    -0.03  -0.08   0.16
    11   6     0.01  -0.02   0.04     0.03   0.00   0.10     0.03   0.03  -0.03
    12   6     0.07  -0.05   0.02     0.02   0.15   0.04    -0.06   0.24  -0.09
    13   6    -0.06   0.03  -0.00    -0.07   0.04   0.05     0.06   0.02  -0.03
    14   1     0.02  -0.02   0.01     0.12   0.01   0.16     0.15   0.04   0.06
    15   1     0.08  -0.04  -0.05     0.07   0.27  -0.00    -0.03   0.34  -0.00
    16   1     0.13  -0.09   0.04     0.11   0.13   0.08    -0.06   0.32  -0.07
    17   1     0.05  -0.05   0.06    -0.11   0.15  -0.02    -0.14   0.23  -0.23
    18   8    -0.06   0.02  -0.05    -0.07   0.04  -0.03     0.06   0.02   0.01
    19   8    -0.13   0.08   0.03    -0.18   0.12   0.09     0.10   0.03  -0.05
    20   1    -0.12   0.08   0.07    -0.16   0.10   0.16     0.09   0.02  -0.08
    21   6     0.02  -0.01  -0.08    -0.00  -0.02  -0.04    -0.05  -0.02   0.01
    22   6     0.03  -0.01  -0.13     0.03  -0.00   0.03    -0.01  -0.01  -0.00
    23   6     0.03  -0.02  -0.12     0.07  -0.05  -0.08     0.01  -0.05   0.10
    24   8     0.04  -0.01  -0.21     0.04   0.09   0.23     0.03   0.06  -0.14
    25   6    -0.01   0.04   0.26     0.01   0.12  -0.06    -0.06   0.18  -0.00
    26   1     0.00  -0.01   0.02    -0.04  -0.07  -0.11    -0.10  -0.08   0.02
    27   1     0.01  -0.01  -0.09    -0.03   0.01  -0.02    -0.08  -0.00  -0.04
    28   1     0.04  -0.02  -0.16     0.10  -0.04  -0.07     0.05  -0.04   0.12
    29   1     0.19   0.28   0.40    -0.06  -0.13  -0.21    -0.11   0.33   0.08
    30   1    -0.24  -0.16   0.41     0.03   0.34  -0.25    -0.16   0.05   0.10
    31   1    -0.01   0.06   0.32     0.04   0.19   0.05    -0.00   0.26  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.9601               207.1774               210.2077
 Red. masses --      3.0466                 1.6540                 1.5262
 Frc consts  --      0.0601                 0.0418                 0.0397
 IR Inten    --      1.1137                 1.1644                 0.7576
 RamAct Fr= 1--      0.2129                 2.7384                 2.7813
  Dep-P Fr= 1--      0.6570                 0.3646                 0.2069
  Dep-U Fr= 1--      0.7930                 0.5344                 0.3429
 Alpha2 Fr= 1--      0.0004                 0.0229                 0.0371
 Beta2  Fr= 1--      0.0281                 0.2439                 0.1589
 AlphaG Fr= 1--      0.0008                -0.0030                 0.0147
 Gamma2 Fr= 1--     -0.5487                -0.9772                -0.8269
 Delta2 Fr= 1--      0.0278                -0.5143                -0.2268
 Raman1 Fr= 1--       0.851                 10.953                 11.125
 ROA1   Fr= 1--     -51.785               -110.272                -86.637
 CID1   Fr= 1--     -60.821                -10.067                 -7.787
 Raman2 Fr= 1--       0.338                  2.927                  1.907
 ROA2   Fr= 1--     -13.390                -19.339                -18.031
 CID2   Fr= 1--     -39.663                 -6.608                 -9.454
 Raman3 Fr= 1--       0.675                  5.853                  3.814
 ROA3   Fr= 1--     -51.785               -110.272                -86.637
 CID3   Fr= 1--     -76.696                -18.839                -22.713
 RC180  Fr= 1--       0.586                  0.069                 -0.314
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.14    -0.01  -0.01   0.03     0.01   0.01  -0.01
     2   6     0.01  -0.02  -0.12    -0.02  -0.02  -0.02     0.02   0.01   0.02
     3   6     0.02  -0.02  -0.19    -0.00   0.01   0.07    -0.00  -0.02  -0.04
     4   6     0.00   0.00  -0.00    -0.00   0.02   0.04    -0.00  -0.03  -0.03
     5   6    -0.02   0.02   0.19    -0.02   0.02   0.04     0.03  -0.02  -0.05
     6   6    -0.01   0.00   0.07    -0.03  -0.01   0.00     0.03   0.00  -0.01
     7   6    -0.01  -0.00   0.05    -0.02  -0.01   0.01     0.01   0.01  -0.01
     8   1     0.03  -0.03  -0.29     0.01   0.02   0.09    -0.01  -0.02  -0.04
     9   1    -0.04   0.05   0.41    -0.04   0.03   0.05     0.05  -0.04  -0.07
    10   1    -0.02   0.01   0.18    -0.04  -0.01  -0.01     0.05   0.00  -0.01
    11   6     0.00   0.01   0.01     0.01   0.01  -0.01    -0.02  -0.04   0.01
    12   6     0.01   0.02  -0.00     0.12  -0.02  -0.05    -0.07   0.02   0.00
    13   6    -0.00   0.00   0.00     0.02   0.00  -0.01    -0.04  -0.01   0.01
    14   1     0.00   0.01   0.01    -0.02   0.00  -0.01    -0.03  -0.03   0.04
    15   1    -0.01  -0.05   0.04    -0.03  -0.42   0.13    -0.22  -0.34   0.34
    16   1    -0.02   0.09  -0.00    -0.09   0.37  -0.05    -0.39   0.45  -0.05
    17   1     0.10   0.01  -0.05     0.58  -0.04  -0.27     0.36  -0.00  -0.28
    18   8    -0.00   0.00   0.00     0.02   0.01   0.03    -0.05   0.01   0.02
    19   8    -0.00  -0.00   0.01     0.06   0.01  -0.03    -0.06   0.03   0.01
    20   1    -0.00   0.00   0.01     0.06  -0.00  -0.05    -0.05   0.02   0.02
    21   6    -0.02   0.02   0.21    -0.02  -0.02  -0.03     0.02   0.02   0.01
    22   6    -0.00  -0.00   0.02    -0.03  -0.02  -0.03     0.03   0.02   0.02
    23   6     0.01  -0.02  -0.14    -0.02  -0.03  -0.07     0.02   0.03   0.06
    24   8     0.00   0.01   0.01    -0.03   0.01   0.05     0.03  -0.01  -0.03
    25   6    -0.01   0.02  -0.02    -0.06   0.05  -0.01     0.06  -0.05   0.01
    26   1    -0.02   0.01   0.14    -0.02  -0.01   0.03     0.01   0.01  -0.03
    27   1    -0.04   0.04   0.44    -0.02  -0.03  -0.04     0.02   0.02   0.00
    28   1     0.02  -0.03  -0.21    -0.02  -0.03  -0.09     0.02   0.03   0.08
    29   1    -0.20   0.20   0.07     0.01  -0.12  -0.10     0.03   0.06   0.07
    30   1     0.15  -0.14   0.14    -0.17   0.19  -0.15     0.14  -0.14   0.10
    31   1     0.02  -0.00  -0.31    -0.05   0.11   0.19     0.05  -0.10  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    234.4759               243.9082               277.4463
 Red. masses --      2.1305                 2.0906                 2.7934
 Frc consts  --      0.0690                 0.0733                 0.1267
 IR Inten    --      2.4611                 3.9186                 1.6525
 RamAct Fr= 1--      1.3466                 1.4501                 2.2816
  Dep-P Fr= 1--      0.3241                 0.3641                 0.4457
  Dep-U Fr= 1--      0.4896                 0.5339                 0.6166
 Alpha2 Fr= 1--      0.0128                 0.0122                 0.0142
 Beta2  Fr= 1--      0.1099                 0.1290                 0.2345
 AlphaG Fr= 1--      0.0132                 0.0054                -0.0620
 Gamma2 Fr= 1--      1.0998                -0.1048                -0.2817
 Delta2 Fr= 1--      0.0851                -0.0841                -0.3127
 Raman1 Fr= 1--       5.387                  5.801                  9.126
 ROA1   Fr= 1--     108.309                -12.746                -37.046
 CID1   Fr= 1--      20.107                 -2.197                 -4.059
 Raman2 Fr= 1--       1.319                  1.548                  2.813
 ROA2   Fr= 1--      25.715                 -1.842                 -4.259
 CID2   Fr= 1--      19.502                 -1.189                 -1.514
 Raman3 Fr= 1--       2.637                  3.097                  5.627
 ROA3   Fr= 1--     108.309                -12.746                -37.046
 CID3   Fr= 1--      41.071                 -4.116                 -6.584
 RC180  Fr= 1--      -0.021                  0.068                  0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.03   0.01  -0.02    -0.00   0.00   0.09
     2   6     0.01   0.02  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
     3   6    -0.04  -0.05   0.01    -0.03  -0.03   0.04    -0.01   0.02   0.15
     4   6    -0.01  -0.08   0.00     0.00  -0.06   0.05    -0.02   0.01   0.02
     5   6     0.02  -0.07   0.08     0.01  -0.06  -0.01    -0.01   0.02   0.07
     6   6     0.04  -0.01   0.06     0.02  -0.03  -0.03    -0.01   0.02   0.07
     7   6    -0.04   0.05   0.05    -0.05   0.03  -0.06     0.02  -0.02  -0.01
     8   1    -0.09  -0.06  -0.00    -0.08  -0.04   0.05    -0.00   0.02   0.20
     9   1     0.04  -0.09   0.13     0.02  -0.08  -0.03    -0.01   0.02   0.09
    10   1     0.09   0.00   0.10     0.07  -0.02  -0.07    -0.02   0.02   0.09
    11   6    -0.00  -0.05  -0.02     0.03  -0.04   0.03    -0.04   0.01  -0.06
    12   6    -0.05   0.07  -0.05     0.15   0.03  -0.06    -0.15   0.01  -0.01
    13   6    -0.00  -0.01  -0.02     0.02  -0.01   0.02    -0.01   0.00  -0.05
    14   1     0.05  -0.04   0.02     0.06  -0.03   0.06    -0.03   0.01  -0.07
    15   1    -0.02   0.19  -0.04     0.18   0.07  -0.20    -0.15   0.04   0.12
    16   1    -0.02   0.06  -0.03     0.29   0.05   0.02    -0.25  -0.01  -0.07
    17   1    -0.17   0.07  -0.11     0.11   0.03  -0.11    -0.18   0.01   0.00
    18   8    -0.01   0.01   0.02     0.01   0.02   0.04    -0.00  -0.02  -0.01
    19   8     0.03   0.02  -0.04     0.04   0.03   0.00     0.04  -0.01  -0.08
    20   1     0.03  -0.01  -0.07     0.05  -0.01  -0.02     0.03  -0.01  -0.13
    21   6    -0.02   0.07   0.01    -0.04   0.06  -0.04     0.03  -0.03  -0.11
    22   6     0.00   0.07  -0.05    -0.05   0.06   0.01     0.04  -0.02  -0.07
    23   6     0.02   0.06  -0.09    -0.03   0.05   0.02     0.04  -0.02  -0.15
    24   8    -0.03   0.01   0.01    -0.07   0.01   0.02     0.04   0.02   0.14
    25   6     0.08  -0.13   0.02    -0.00  -0.09   0.01     0.05   0.01   0.02
    26   1    -0.07   0.05   0.08    -0.08   0.02  -0.09     0.03  -0.01  -0.01
    27   1    -0.02   0.09   0.01    -0.04   0.06  -0.04     0.03  -0.02  -0.13
    28   1     0.05   0.06  -0.12    -0.00   0.06   0.04     0.03  -0.03  -0.18
    29   1     0.41  -0.44  -0.14    -0.21   0.21   0.18    -0.26   0.27   0.14
    30   1    -0.04   0.14  -0.24     0.29  -0.35   0.28     0.33  -0.20   0.24
    31   1    -0.03  -0.20   0.46    -0.02  -0.22  -0.44     0.09  -0.04  -0.45
                     13                     14                     15
                      A                      A                      A
 Frequencies --    307.9476               347.9204               397.1233
 Red. masses --      4.7716                 3.8274                 4.9523
 Frc consts  --      0.2666                 0.2730                 0.4602
 IR Inten    --      8.5124                 1.1363                 1.3002
 RamAct Fr= 1--      6.5590                 4.4033                 1.4077
  Dep-P Fr= 1--      0.2484                 0.2155                 0.6034
  Dep-U Fr= 1--      0.3979                 0.3546                 0.7527
 Alpha2 Fr= 1--      0.0781                 0.0574                 0.0038
 Beta2  Fr= 1--      0.4350                 0.2603                 0.1766
 AlphaG Fr= 1--      0.0986                -0.0395                -0.0342
 Gamma2 Fr= 1--      0.1929                -0.5672                 1.6501
 Delta2 Fr= 1--      0.1744                 0.0165                 0.6891
 Raman1 Fr= 1--      26.236                 17.613                  5.631
 ROA1   Fr= 1--      24.099                -53.918                180.462
 CID1   Fr= 1--       0.919                 -3.061                 32.048
 Raman2 Fr= 1--       5.220                  3.123                  2.119
 ROA2   Fr= 1--       3.235                -13.744                 34.090
 CID2   Fr= 1--       0.620                 -4.401                 16.087
 Raman3 Fr= 1--      10.440                  6.246                  4.238
 ROA3   Fr= 1--      24.099                -53.918                180.462
 CID3   Fr= 1--       2.308                 -8.632                 42.580
 RC180  Fr= 1--      -0.204                 -0.291                  0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.02    -0.04  -0.14  -0.01     0.01   0.02  -0.07
     2   6     0.02   0.01  -0.00    -0.02  -0.14  -0.00     0.02   0.01  -0.12
     3   6    -0.03   0.03  -0.02     0.00  -0.02   0.01    -0.02  -0.00   0.11
     4   6    -0.07   0.05   0.01    -0.06   0.08   0.02    -0.02  -0.01   0.24
     5   6    -0.02   0.06  -0.01    -0.12   0.06  -0.01     0.00  -0.01   0.22
     6   6    -0.01   0.05  -0.02    -0.13  -0.06  -0.04     0.05  -0.02  -0.23
     7   6     0.06  -0.04   0.00    -0.10  -0.08  -0.01     0.03   0.01  -0.08
     8   1     0.00   0.04  -0.02     0.12   0.00   0.00    -0.04  -0.02   0.06
     9   1    -0.00   0.04  -0.00    -0.16   0.10  -0.00     0.01  -0.02   0.34
    10   1    -0.05   0.04  -0.04    -0.26  -0.09  -0.08     0.11  -0.03  -0.44
    11   6    -0.15  -0.06  -0.02    -0.04   0.14  -0.01    -0.01   0.02   0.01
    12   6     0.07   0.02  -0.20     0.05  -0.04   0.04    -0.08   0.02   0.06
    13   6    -0.15  -0.08   0.03    -0.00   0.07  -0.01    -0.03   0.02  -0.08
    14   1    -0.22  -0.06   0.05    -0.05   0.13  -0.07     0.04   0.02  -0.02
    15   1     0.14   0.18  -0.50     0.01  -0.18  -0.04    -0.09   0.03   0.21
    16   1     0.37  -0.02  -0.03     0.05  -0.09   0.02    -0.21   0.01  -0.02
    17   1    -0.08   0.02  -0.25     0.18  -0.03   0.17    -0.10   0.02   0.08
    18   8    -0.18  -0.02   0.28     0.03  -0.03  -0.02    -0.02  -0.03  -0.05
    19   8     0.03   0.03  -0.09     0.02  -0.04  -0.00     0.10  -0.01  -0.17
    20   1     0.01  -0.04  -0.25     0.00   0.05  -0.01     0.07   0.02  -0.32
    21   6     0.05  -0.07   0.03    -0.07   0.05   0.00     0.01   0.00   0.06
    22   6     0.08  -0.06   0.03     0.02   0.08   0.02    -0.01   0.01   0.14
    23   6     0.04  -0.03   0.03     0.05  -0.01   0.04    -0.01   0.03   0.17
    24   8     0.12  -0.01  -0.01     0.06   0.14  -0.03     0.00  -0.04  -0.09
    25   6     0.09   0.06  -0.00     0.24  -0.05   0.02    -0.04   0.00  -0.02
    26   1     0.12  -0.02   0.00    -0.21  -0.11  -0.03     0.05   0.01  -0.13
    27   1     0.05  -0.06   0.04    -0.11   0.10  -0.01     0.02  -0.01   0.02
    28   1    -0.02  -0.04   0.04     0.15   0.02   0.06    -0.04   0.03   0.23
    29   1     0.09   0.04  -0.01     0.41  -0.05   0.03     0.01  -0.01  -0.02
    30   1     0.03   0.07  -0.02     0.37  -0.04   0.03    -0.13   0.02  -0.04
    31   1     0.11   0.11   0.04     0.10  -0.25   0.06    -0.02   0.05   0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.6870               454.3575               486.0512
 Red. masses --      3.3696                 5.4598                 2.5766
 Frc consts  --      0.3464                 0.6641                 0.3586
 IR Inten    --      0.0777                 1.7628                14.2128
 RamAct Fr= 1--      1.5896                 0.7350                 0.0495
  Dep-P Fr= 1--      0.7411                 0.6660                 0.0829
  Dep-U Fr= 1--      0.8513                 0.7995                 0.1531
 Alpha2 Fr= 1--      0.0002                 0.0011                 0.0009
 Beta2  Fr= 1--      0.2255                 0.0979                 0.0013
 AlphaG Fr= 1--      0.0001                 0.0053                -0.0039
 Gamma2 Fr= 1--      0.1907                 0.3058                -0.0492
 Delta2 Fr= 1--     -0.0225                 0.2010                -0.0341
 Raman1 Fr= 1--       6.358                  2.940                  0.198
 ROA1   Fr= 1--      17.591                 35.791                 -5.811
 CID1   Fr= 1--       2.767                 12.173                -29.353
 Raman2 Fr= 1--       2.707                  1.175                  0.015
 ROA2   Fr= 1--       4.758                  5.731                 -0.907
 CID2   Fr= 1--       1.758                  4.876                -59.885
 Raman3 Fr= 1--       5.413                  2.351                  0.030
 ROA3   Fr= 1--      17.591                 35.791                 -5.811
 CID3   Fr= 1--       3.250                 15.226               -191.727
 RC180  Fr= 1--       0.703                  0.599                 -0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.09     0.15  -0.15   0.03    -0.01   0.02   0.21
     2   6     0.00  -0.00  -0.03     0.10  -0.17   0.04    -0.01   0.02   0.19
     3   6     0.01  -0.02  -0.18     0.21  -0.01  -0.00     0.01  -0.02  -0.12
     4   6     0.00  -0.00  -0.01     0.10   0.12  -0.01    -0.01  -0.00   0.03
     5   6    -0.01   0.01   0.12     0.09   0.10  -0.03    -0.00  -0.00   0.06
     6   6     0.01  -0.02  -0.15     0.03  -0.08   0.03     0.01  -0.01  -0.10
     7   6    -0.02   0.03   0.25     0.01  -0.00   0.02     0.01  -0.01  -0.10
     8   1     0.03  -0.04  -0.40     0.40   0.04   0.02     0.03  -0.06  -0.45
     9   1    -0.02   0.03   0.25     0.03   0.17  -0.05     0.01  -0.02  -0.03
    10   1     0.02  -0.03  -0.29    -0.12  -0.11   0.03     0.04  -0.05  -0.42
    11   6     0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.02  -0.01
    12   6     0.00   0.00  -0.01    -0.03   0.00   0.02    -0.00  -0.00  -0.01
    13   6     0.00   0.00   0.01    -0.10  -0.03  -0.02    -0.01   0.03   0.00
    14   1    -0.00  -0.00  -0.00    -0.08   0.04   0.01     0.02   0.02  -0.03
    15   1     0.01   0.00  -0.03    -0.03   0.02   0.06    -0.00  -0.01  -0.02
    16   1     0.02   0.00  -0.00    -0.08  -0.07  -0.03    -0.00  -0.00  -0.01
    17   1     0.01   0.00  -0.02    -0.06   0.01   0.08     0.01   0.00   0.00
    18   8     0.00   0.00   0.01    -0.11  -0.03   0.12     0.00  -0.01   0.01
    19   8    -0.01  -0.01   0.02    -0.02  -0.01  -0.10    -0.00  -0.02   0.01
    20   1    -0.02   0.03   0.04    -0.04  -0.02  -0.18    -0.03   0.11   0.01
    21   6     0.02  -0.02  -0.21     0.04   0.17  -0.02     0.00   0.01   0.05
    22   6     0.01  -0.01  -0.11    -0.07   0.14  -0.04    -0.00   0.01   0.07
    23   6    -0.01   0.01   0.09     0.10  -0.00   0.00     0.01  -0.01  -0.12
    24   8    -0.00   0.01   0.06    -0.18   0.00  -0.01     0.00  -0.01  -0.01
    25   6     0.00   0.00   0.01    -0.19  -0.08  -0.01    -0.01  -0.00  -0.00
    26   1    -0.04   0.05   0.49    -0.20  -0.05   0.02     0.04  -0.05  -0.45
    27   1     0.03  -0.04  -0.33     0.03   0.18  -0.01     0.01  -0.01  -0.12
    28   1    -0.03   0.03   0.31     0.35   0.06   0.02     0.05  -0.05  -0.48
    29   1    -0.07   0.04   0.03    -0.18  -0.07  -0.00    -0.01   0.01   0.00
    30   1     0.06  -0.03   0.05    -0.17  -0.07  -0.01    -0.02  -0.01   0.00
    31   1     0.01  -0.01  -0.09    -0.20  -0.09  -0.01    -0.00   0.01  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    494.3120               512.3411               538.5383
 Red. masses --      3.8581                 3.9004                 5.5708
 Frc consts  --      0.5554                 0.6032                 0.9519
 IR Inten    --      4.5427                22.6816                 3.4739
 RamAct Fr= 1--      1.6230                 3.1993                17.6108
  Dep-P Fr= 1--      0.6660                 0.2325                 0.3719
  Dep-U Fr= 1--      0.7995                 0.3772                 0.5422
 Alpha2 Fr= 1--      0.0024                 0.0398                 0.1438
 Beta2  Fr= 1--      0.2163                 0.2011                 1.5913
 AlphaG Fr= 1--      0.0318                -0.1659                 0.1104
 Gamma2 Fr= 1--     -2.3688                 0.6221                 1.9434
 Delta2 Fr= 1--     -0.4458                -0.2808                 0.3789
 Raman1 Fr= 1--       6.492                 12.797                 70.443
 ROA1   Fr= 1--    -241.675                 50.740                198.690
 CID1   Fr= 1--     -37.226                  3.965                  2.821
 Raman2 Fr= 1--       2.595                  2.414                 19.095
 ROA2   Fr= 1--     -53.285                 17.178                 43.610
 CID2   Fr= 1--     -20.532                  7.117                  2.284
 Raman3 Fr= 1--       5.191                  4.827                 38.191
 ROA3   Fr= 1--    -241.675                 50.740                198.690
 CID3   Fr= 1--     -46.561                 10.511                  5.203
 RC180  Fr= 1--       0.599                 -0.246                  0.084
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03  -0.04     0.03  -0.01  -0.01    -0.11  -0.02  -0.01
     2   6     0.00   0.06   0.06     0.03  -0.00  -0.07     0.15   0.03  -0.00
     3   6    -0.04  -0.10  -0.07    -0.02  -0.09   0.08    -0.07   0.08  -0.00
     4   6    -0.06  -0.09   0.02    -0.06  -0.06  -0.04     0.00   0.05  -0.01
     5   6    -0.01  -0.12  -0.10    -0.05  -0.06   0.05     0.27   0.10   0.01
     6   6     0.02   0.02   0.08    -0.00  -0.00  -0.02     0.26   0.08   0.02
     7   6     0.02   0.03   0.04     0.05   0.01  -0.01    -0.22  -0.03  -0.01
     8   1    -0.12  -0.12  -0.09    -0.04  -0.08   0.14     0.02   0.09   0.01
     9   1     0.07  -0.21  -0.20    -0.01  -0.10   0.16     0.36   0.01   0.04
    10   1     0.11   0.04   0.11     0.02   0.01   0.05     0.24   0.08   0.03
    11   6    -0.02   0.19   0.07    -0.05   0.13  -0.15    -0.02   0.08  -0.05
    12   6     0.10   0.04   0.18    -0.05  -0.04  -0.17    -0.01   0.01  -0.03
    13   6    -0.13   0.12  -0.04    -0.00   0.19   0.01    -0.03   0.10  -0.01
    14   1     0.15   0.19   0.03     0.09   0.11  -0.35     0.05   0.08  -0.13
    15   1     0.04  -0.17   0.08    -0.07  -0.14  -0.25    -0.02  -0.05  -0.06
    16   1     0.09  -0.08   0.14    -0.03  -0.07  -0.17    -0.01  -0.03  -0.04
    17   1     0.28   0.05   0.41     0.06  -0.04  -0.08     0.05   0.01   0.05
    18   8    -0.07  -0.07   0.02     0.08  -0.02   0.09     0.01  -0.02   0.04
    19   8     0.06  -0.06  -0.14    -0.07  -0.11   0.14    -0.01  -0.06   0.02
    20   1    -0.05   0.27  -0.32    -0.17   0.46   0.29    -0.12   0.40   0.03
    21   6     0.04   0.00  -0.01     0.08   0.07   0.00    -0.26  -0.13  -0.01
    22   6     0.04  -0.01  -0.08     0.05   0.05   0.04    -0.04  -0.09   0.01
    23   6     0.01   0.04  -0.03     0.04   0.07   0.03     0.07  -0.14   0.03
    24   8     0.03  -0.05   0.04     0.01  -0.08  -0.01    -0.02   0.01  -0.00
    25   6    -0.02   0.01   0.00    -0.07  -0.01  -0.01     0.00  -0.04   0.00
    26   1     0.05   0.05   0.15     0.02   0.00  -0.02    -0.18  -0.03  -0.00
    27   1     0.02   0.02   0.08     0.05   0.10  -0.04    -0.28  -0.11  -0.01
    28   1    -0.03   0.04   0.02     0.09   0.09   0.06    -0.03  -0.16   0.03
    29   1    -0.10   0.00  -0.00    -0.14  -0.01  -0.01     0.04  -0.04   0.01
    30   1    -0.06   0.01  -0.00    -0.16  -0.01  -0.02     0.04  -0.03   0.01
    31   1     0.03   0.08  -0.02     0.00   0.11  -0.01    -0.03  -0.08   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    567.6145               584.9456               599.7614
 Red. masses --      2.8765                 1.4879                 2.7139
 Frc consts  --      0.5460                 0.3000                 0.5752
 IR Inten    --     11.2289                59.7496                 2.3228
 RamAct Fr= 1--      4.2732                 2.1850                 2.5591
  Dep-P Fr= 1--      0.3644                 0.3645                 0.5067
  Dep-U Fr= 1--      0.5341                 0.5343                 0.6726
 Alpha2 Fr= 1--      0.0358                 0.0183                 0.0122
 Beta2  Fr= 1--      0.3804                 0.1946                 0.2869
 AlphaG Fr= 1--     -0.1241                 0.1397                -0.0645
 Gamma2 Fr= 1--     -1.6777                -0.1676                -0.3256
 Delta2 Fr= 1--     -0.3783                -0.3542                -0.2294
 Raman1 Fr= 1--      17.093                  8.740                 10.236
 ROA1   Fr= 1--    -173.169                -27.421                -38.594
 CID1   Fr= 1--     -10.131                 -3.138                 -3.770
 Raman2 Fr= 1--       4.565                  2.335                  3.442
 ROA2   Fr= 1--     -37.239                 -1.189                 -5.979
 CID2   Fr= 1--      -8.158                 -0.509                 -1.737
 Raman3 Fr= 1--       9.130                  4.670                  6.885
 ROA3   Fr= 1--    -173.169                -27.421                -38.594
 CID3   Fr= 1--     -18.967                 -5.872                 -5.606
 RC180  Fr= 1--       0.068                  0.069                  0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.00    -0.03  -0.02  -0.02    -0.03   0.01   0.09
     2   6    -0.04   0.01  -0.02    -0.02  -0.02   0.02     0.00  -0.01  -0.15
     3   6     0.08  -0.01   0.02    -0.02   0.04  -0.00    -0.01   0.01   0.00
     4   6     0.08  -0.04   0.00     0.01   0.03   0.03     0.02  -0.02  -0.19
     5   6    -0.02  -0.05   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.01
     6   6    -0.02  -0.01   0.00    -0.02  -0.02   0.01    -0.00  -0.01  -0.00
     7   6     0.09   0.09  -0.00    -0.02  -0.05  -0.00    -0.02  -0.01   0.05
     8   1     0.02  -0.02   0.01     0.01   0.05  -0.04    -0.03   0.03   0.18
     9   1    -0.05  -0.02   0.02    -0.03   0.06  -0.06    -0.04   0.05   0.39
    10   1     0.04   0.01   0.03    -0.06  -0.04  -0.02    -0.03   0.03   0.36
    11   6     0.07  -0.02  -0.03     0.00  -0.08   0.04     0.02   0.01   0.03
    12   6    -0.00  -0.00  -0.01    -0.00  -0.00   0.01     0.05   0.03   0.08
    13   6    -0.02   0.02  -0.02     0.02  -0.05   0.01    -0.01  -0.05   0.00
    14   1     0.11  -0.02  -0.08    -0.06  -0.08   0.05     0.01   0.02   0.12
    15   1     0.00   0.04   0.09     0.02   0.07   0.03     0.04  -0.01   0.04
    16   1    -0.08  -0.02  -0.06     0.02   0.06   0.04     0.07  -0.02   0.08
    17   1    -0.05   0.00  -0.01    -0.06  -0.01  -0.10     0.09   0.03   0.14
    18   8    -0.02   0.00   0.07    -0.01   0.04  -0.04    -0.04   0.01   0.01
    19   8    -0.03  -0.07  -0.02     0.04  -0.04  -0.00    -0.00   0.00  -0.03
    20   1    -0.20   0.68  -0.03    -0.19   0.91  -0.09    -0.05   0.18  -0.08
    21   6     0.01  -0.07   0.01     0.01   0.03   0.00    -0.00  -0.00  -0.06
    22   6    -0.12  -0.06   0.00     0.04   0.02  -0.03    -0.00   0.03   0.23
    23   6    -0.09  -0.11   0.01     0.01   0.05  -0.00    -0.00   0.02  -0.02
    24   8    -0.08   0.17  -0.03     0.03  -0.05   0.01     0.02  -0.03  -0.04
    25   6     0.07   0.02   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.01
    26   1     0.15   0.10   0.00    -0.05  -0.05   0.04     0.00  -0.04  -0.24
    27   1     0.16  -0.22   0.03    -0.05   0.09   0.06     0.02  -0.03  -0.54
    28   1    -0.15  -0.12   0.01     0.03   0.06   0.03     0.01  -0.01  -0.26
    29   1     0.23   0.02   0.01    -0.06  -0.00  -0.00    -0.00   0.02   0.00
    30   1     0.23   0.02   0.02    -0.06   0.00  -0.01    -0.04  -0.02   0.00
    31   1    -0.08  -0.20   0.02     0.03   0.07  -0.00     0.02   0.03  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    637.1476               684.8831               697.1971
 Red. masses --      5.1669                 4.3300                 4.3846
 Frc consts  --      1.2358                 1.1967                 1.2557
 IR Inten    --      0.5487                 6.6427                 5.4172
 RamAct Fr= 1--      1.1513                 2.0391                 0.4368
  Dep-P Fr= 1--      0.7369                 0.1764                 0.1015
  Dep-U Fr= 1--      0.8485                 0.2999                 0.1842
 Alpha2 Fr= 1--      0.0003                 0.0295                 0.0076
 Beta2  Fr= 1--      0.1628                 0.1019                 0.0134
 AlphaG Fr= 1--     -0.0043                 0.0703                -0.0669
 Gamma2 Fr= 1--      0.9768                -0.2841                 0.1010
 Delta2 Fr= 1--      0.0715                -0.2617                 0.1252
 Raman1 Fr= 1--       4.605                  8.156                  1.747
 ROA1   Fr= 1--      96.058                -35.643                 13.698
 CID1   Fr= 1--      20.859                 -4.370                  7.839
 Raman2 Fr= 1--       1.954                  1.223                  0.161
 ROA2   Fr= 1--      22.871                 -4.724                  1.421
 CID2   Fr= 1--      11.706                 -3.863                  8.829
 Raman3 Fr= 1--       3.908                  2.446                  0.322
 ROA3   Fr= 1--      96.058                -35.643                 13.698
 CID3   Fr= 1--      24.582                -14.573                 42.547
 RC180  Fr= 1--       0.697                 -0.400                 -0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01  -0.02    -0.02  -0.01  -0.10     0.05  -0.01  -0.10
     2   6    -0.15  -0.00   0.00    -0.05  -0.02  -0.04     0.05   0.01  -0.01
     3   6    -0.02   0.18  -0.01    -0.03   0.10  -0.08     0.06  -0.10  -0.03
     4   6     0.16   0.02   0.01     0.00   0.05   0.21    -0.00  -0.00   0.21
     5   6     0.07  -0.04   0.03     0.10  -0.03  -0.08    -0.11   0.03  -0.07
     6   6    -0.00  -0.20   0.01     0.05  -0.13   0.13    -0.09   0.16   0.06
     7   6    -0.05  -0.11  -0.01     0.06  -0.09   0.14    -0.11   0.15   0.07
     8   1    -0.06   0.17  -0.03    -0.02   0.09  -0.19     0.07  -0.12  -0.17
     9   1    -0.08   0.12  -0.05     0.08  -0.01  -0.40    -0.07  -0.03  -0.42
    10   1     0.05  -0.20  -0.05     0.07  -0.13   0.08    -0.12   0.14  -0.07
    11   6     0.20   0.03  -0.11    -0.07  -0.01   0.02     0.11  -0.05  -0.03
    12   6     0.03   0.02   0.03    -0.05  -0.03  -0.07     0.01  -0.01  -0.00
    13   6     0.00   0.03  -0.11    -0.06   0.14   0.04     0.07  -0.05  -0.08
    14   1     0.27   0.02  -0.15    -0.02  -0.03  -0.14     0.09  -0.05  -0.04
    15   1     0.04   0.10   0.32    -0.04  -0.00  -0.11     0.03   0.12   0.23
    16   1    -0.22  -0.10  -0.16     0.00   0.07  -0.01    -0.15  -0.01  -0.10
    17   1    -0.09   0.03   0.13    -0.07  -0.04  -0.19    -0.14  -0.01  -0.04
    18   8     0.01  -0.01   0.20    -0.00  -0.05  -0.07     0.05   0.03   0.09
    19   8    -0.15  -0.04  -0.08     0.08  -0.00   0.05    -0.09  -0.02  -0.06
    20   1    -0.06  -0.28   0.16     0.08  -0.10  -0.07    -0.06   0.02   0.15
    21   6    -0.01  -0.01   0.02     0.09  -0.04  -0.09    -0.11   0.04  -0.09
    22   6     0.05   0.01  -0.04    -0.03   0.03   0.20     0.01  -0.00   0.16
    23   6    -0.11   0.16  -0.02    -0.05   0.05  -0.07     0.07  -0.07  -0.04
    24   8     0.07  -0.07   0.02    -0.04   0.06  -0.04     0.07  -0.10  -0.00
    25   6     0.05   0.03   0.00    -0.00   0.01  -0.00     0.01  -0.00  -0.00
    26   1    -0.05  -0.11   0.03     0.10  -0.08   0.11    -0.16   0.14   0.09
    27   1    -0.11   0.10   0.09     0.12  -0.08  -0.43    -0.10   0.02  -0.32
    28   1    -0.17   0.15   0.04    -0.03   0.02  -0.33     0.09  -0.09  -0.23
    29   1    -0.02   0.02  -0.00     0.07   0.02   0.01    -0.07   0.01  -0.00
    30   1    -0.02   0.03  -0.01     0.04  -0.01   0.01    -0.09  -0.01  -0.01
    31   1     0.10   0.11  -0.00    -0.05  -0.07  -0.01     0.10   0.12  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    747.9426               778.9933               790.5484
 Red. masses --      5.9249                 2.7797                 3.5418
 Frc consts  --      1.9528                 0.9938                 1.3042
 IR Inten    --      9.0611                 1.8277                 1.2680
 RamAct Fr= 1--     33.5611                 5.6444                23.1516
  Dep-P Fr= 1--      0.0705                 0.1035                 0.0920
  Dep-U Fr= 1--      0.1318                 0.1876                 0.1684
 Alpha2 Fr= 1--      0.6311                 0.0980                 0.4134
 Beta2  Fr= 1--      0.7371                 0.1764                 0.6498
 AlphaG Fr= 1--     -0.3705                -0.0494                 0.3713
 Gamma2 Fr= 1--     -1.8504                 0.8538                 1.9287
 Delta2 Fr= 1--      0.3303                 0.8294                -0.1056
 Raman1 Fr= 1--     134.244                 22.578                 92.606
 ROA1   Fr= 1--    -167.065                108.504                181.773
 CID1   Fr= 1--      -1.244                  4.806                  1.963
 Raman2 Fr= 1--       8.845                  2.117                  7.798
 ROA2   Fr= 1--     -47.051                 13.856                 47.133
 CID2   Fr= 1--      -5.319                  6.544                  6.044
 Raman3 Fr= 1--      17.690                  4.235                 15.596
 ROA3   Fr= 1--    -167.065                108.504                181.773
 CID3   Fr= 1--      -9.444                 25.623                 11.655
 RC180  Fr= 1--      -0.736                 -0.625                 -0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.09   0.05     0.02   0.01  -0.19     0.01  -0.08  -0.07
     2   6    -0.04  -0.07  -0.02    -0.02  -0.01   0.20    -0.02   0.09   0.10
     3   6     0.11   0.08  -0.01    -0.02   0.03   0.05     0.08  -0.07   0.03
     4   6     0.13   0.01  -0.03     0.00   0.00  -0.11     0.06  -0.04  -0.08
     5   6    -0.01  -0.04  -0.01     0.01  -0.02   0.10    -0.04   0.06   0.03
     6   6    -0.05  -0.18  -0.00     0.02  -0.09  -0.04    -0.03   0.19  -0.08
     7   6    -0.10   0.31  -0.06    -0.00   0.08   0.02    -0.02  -0.15   0.02
     8   1     0.09   0.08   0.03    -0.05   0.06   0.32     0.11  -0.04   0.25
     9   1    -0.18   0.14   0.12    -0.00  -0.01   0.01    -0.02   0.05   0.17
    10   1    -0.07  -0.17   0.14     0.05  -0.13  -0.31     0.00   0.20  -0.05
    11   6     0.02  -0.04   0.02    -0.04   0.07  -0.01     0.12  -0.12  -0.00
    12   6    -0.02  -0.03  -0.05    -0.01   0.01  -0.01     0.04  -0.02   0.01
    13   6    -0.16   0.17   0.11     0.03  -0.08   0.00    -0.11   0.16   0.05
    14   1     0.09  -0.06  -0.20    -0.09   0.08   0.11     0.23  -0.14  -0.26
    15   1     0.00   0.06  -0.02    -0.05  -0.12  -0.12     0.10   0.21   0.23
    16   1    -0.02   0.08  -0.01     0.03  -0.08  -0.01    -0.06   0.12   0.00
    17   1    -0.09  -0.04  -0.21     0.11   0.02   0.15    -0.17  -0.03  -0.23
    18   8    -0.10  -0.09  -0.09    -0.01   0.02  -0.00    -0.06  -0.07  -0.02
    19   8     0.13   0.01   0.10    -0.00   0.01   0.01     0.06  -0.01   0.04
    20   1     0.09  -0.09  -0.27    -0.02   0.07   0.01     0.04  -0.10  -0.16
    21   6    -0.15   0.08   0.01     0.00   0.00  -0.11    -0.02  -0.04  -0.05
    22   6    -0.01  -0.04  -0.03    -0.02   0.00   0.10     0.01   0.01   0.03
    23   6    -0.02  -0.09   0.02     0.00  -0.03  -0.01    -0.04   0.09  -0.01
    24   8     0.12  -0.15   0.03     0.01  -0.02  -0.00    -0.01   0.02  -0.00
    25   6     0.08   0.03   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.15   0.30  -0.14    -0.02   0.13   0.44    -0.10  -0.15   0.23
    27   1    -0.07   0.01   0.01     0.01   0.00   0.22    -0.12   0.07   0.15
    28   1    -0.03  -0.09   0.09     0.06  -0.08  -0.50    -0.09   0.04  -0.32
    29   1    -0.07   0.03  -0.00     0.00   0.01  -0.00     0.02  -0.00   0.00
    30   1    -0.06   0.03  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.00
    31   1     0.20   0.22  -0.01     0.02   0.03   0.01    -0.02  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    811.4904               819.7663               833.3944
 Red. masses --      3.1406                 1.5203                 1.6920
 Frc consts  --      1.2185                 0.6020                 0.6924
 IR Inten    --      7.5452                20.1261                 1.4816
 RamAct Fr= 1--      5.7344                 0.3973                 1.5848
  Dep-P Fr= 1--      0.3556                 0.3348                 0.1438
  Dep-U Fr= 1--      0.5247                 0.5016                 0.2514
 Alpha2 Fr= 1--      0.0494                 0.0037                 0.0249
 Beta2  Fr= 1--      0.5014                 0.0332                 0.0664
 AlphaG Fr= 1--     -0.1040                 0.0096                -0.0220
 Gamma2 Fr= 1--     -0.2288                -0.4548                -0.2916
 Delta2 Fr= 1--      0.0655                -0.0085                -0.2702
 Raman1 Fr= 1--      22.938                  1.589                  6.339
 ROA1   Fr= 1--     -19.870                -43.938                -36.637
 CID1   Fr= 1--      -0.866                -27.645                 -5.779
 Raman2 Fr= 1--       6.017                  0.399                  0.797
 ROA2   Fr= 1--      -6.016                -10.848                 -4.836
 CID2   Fr= 1--      -1.000                -27.212                 -6.068
 Raman3 Fr= 1--      12.034                  0.797                  1.594
 ROA3   Fr= 1--     -19.870                -43.938                -36.637
 CID3   Fr= 1--      -1.651                -55.109                -22.984
 RC180  Fr= 1--       0.049                  0.003                 -0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.03    -0.01   0.01   0.11     0.02  -0.02  -0.03
     2   6     0.05  -0.07   0.07     0.01  -0.01  -0.05    -0.03   0.03   0.06
     3   6    -0.13   0.09  -0.04    -0.01   0.01   0.01     0.05  -0.03  -0.01
     4   6    -0.05  -0.01  -0.02    -0.00   0.00   0.03     0.00   0.02   0.11
     5   6    -0.02   0.03  -0.03     0.00  -0.01  -0.05     0.02  -0.02  -0.09
     6   6    -0.03  -0.05  -0.06    -0.00  -0.00   0.00     0.02  -0.01  -0.10
     7   6     0.04   0.05   0.00     0.01  -0.01  -0.10    -0.01  -0.00   0.02
     8   1    -0.24   0.09   0.15     0.02  -0.04  -0.37     0.09  -0.02   0.05
     9   1    -0.08   0.10   0.30    -0.01   0.01   0.12    -0.02   0.04   0.54
    10   1    -0.19  -0.05   0.25    -0.02   0.02   0.22     0.00   0.08   0.64
    11   6    -0.03  -0.14   0.07     0.00   0.00  -0.00    -0.03   0.04   0.01
    12   6     0.03  -0.01   0.09     0.00   0.00   0.00    -0.03  -0.01  -0.04
    13   6     0.01   0.18  -0.07     0.00  -0.01   0.00     0.03  -0.04  -0.01
    14   1     0.03  -0.16  -0.17    -0.00   0.00   0.01    -0.06   0.04   0.08
    15   1     0.10   0.18   0.07    -0.00  -0.00   0.00    -0.05  -0.06  -0.07
    16   1     0.16   0.26   0.25    -0.00  -0.01  -0.01    -0.03  -0.05  -0.05
    17   1    -0.09  -0.02  -0.27     0.00   0.00   0.01     0.02  -0.01   0.04
    18   8     0.09  -0.01   0.04    -0.00   0.00  -0.00     0.01   0.02   0.00
    19   8    -0.06  -0.05  -0.08    -0.00   0.00   0.00    -0.01   0.00  -0.01
    20   1    -0.02  -0.10   0.11     0.00  -0.01  -0.00    -0.00   0.01   0.03
    21   6     0.05   0.02  -0.01     0.01  -0.01  -0.10    -0.02  -0.00   0.02
    22   6     0.02   0.01  -0.02    -0.01   0.01   0.08    -0.01  -0.01  -0.06
    23   6     0.11  -0.10   0.04     0.00  -0.00   0.01    -0.05   0.04   0.05
    24   8    -0.02   0.03   0.00     0.00  -0.00  -0.02     0.01  -0.01   0.02
    25   6    -0.04  -0.03  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
    26   1     0.11   0.07   0.00    -0.04   0.06   0.54    -0.03  -0.02  -0.11
    27   1     0.09  -0.01   0.04    -0.05   0.07   0.66    -0.01  -0.01  -0.08
    28   1     0.28  -0.09  -0.19     0.02  -0.01  -0.10    -0.06  -0.02  -0.41
    29   1    -0.02  -0.02   0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
    30   1    -0.02  -0.02   0.00    -0.01   0.00  -0.01     0.01   0.01   0.00
    31   1    -0.05  -0.04   0.00    -0.00   0.00   0.03     0.03   0.02  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    859.0113               898.4820               910.5673
 Red. masses --      3.0679                 1.6982                 1.5083
 Frc consts  --      1.3338                 0.8077                 0.7368
 IR Inten    --     11.1390                31.7275                11.8067
 RamAct Fr= 1--     22.8849                 1.7373                 0.5859
  Dep-P Fr= 1--      0.0829                 0.7392                 0.3690
  Dep-U Fr= 1--      0.1532                 0.8500                 0.5390
 Alpha2 Fr= 1--      0.4177                 0.0003                 0.0048
 Beta2  Fr= 1--      0.5842                 0.2461                 0.0526
 AlphaG Fr= 1--      0.0794                -0.0079                -0.0291
 Gamma2 Fr= 1--      1.7979                -0.1430                 0.1734
 Delta2 Fr= 1--     -0.6909                 0.2830                 0.2430
 Raman1 Fr= 1--      91.540                  6.949                  2.344
 ROA1   Fr= 1--     150.496                 -4.670                 24.423
 CID1   Fr= 1--       1.644                 -0.672                 10.421
 Raman2 Fr= 1--       7.011                  2.953                  0.632
 ROA2   Fr= 1--      48.678                 -5.695                  2.217
 CID2   Fr= 1--       6.943                 -1.928                  3.510
 Raman3 Fr= 1--      14.022                  5.907                  1.263
 ROA3   Fr= 1--     150.496                 -4.670                 24.423
 CID3   Fr= 1--      10.733                 -0.791                 19.333
 RC180  Fr= 1--      -0.694                  0.700                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05  -0.04     0.00  -0.00  -0.03    -0.01   0.02   0.08
     2   6     0.07  -0.02   0.03    -0.01   0.01   0.11     0.01   0.00  -0.02
     3   6    -0.12   0.09   0.00    -0.00   0.00   0.01     0.01  -0.01  -0.17
     4   6    -0.00  -0.02   0.05     0.00   0.00   0.02     0.00   0.01   0.07
     5   6    -0.07  -0.03  -0.03    -0.00  -0.01  -0.05    -0.02  -0.02   0.00
     6   6    -0.04   0.01  -0.03     0.00  -0.00  -0.05    -0.01   0.00   0.02
     7   6     0.02  -0.02   0.02    -0.00   0.00   0.02    -0.00  -0.01   0.00
     8   1    -0.27   0.04  -0.19    -0.00   0.00  -0.00    -0.08   0.11   0.88
     9   1    -0.09  -0.00   0.10    -0.03   0.04   0.36    -0.02  -0.01  -0.02
    10   1    -0.12   0.02   0.19    -0.01   0.02   0.16     0.01  -0.00  -0.07
    11   6     0.16   0.06  -0.11     0.00   0.00   0.00     0.01   0.02   0.01
    12   6     0.05   0.01  -0.06    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    13   6    -0.05  -0.10   0.05     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    14   1     0.22   0.06  -0.01     0.01   0.00   0.02     0.01   0.02   0.02
    15   1     0.02   0.02   0.31    -0.01  -0.00   0.00    -0.01  -0.02   0.02
    16   1    -0.31  -0.24  -0.35    -0.02  -0.02  -0.02    -0.06  -0.05  -0.08
    17   1    -0.06   0.03   0.22    -0.00  -0.00   0.01    -0.02  -0.01   0.02
    18   8    -0.10  -0.02  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8     0.07   0.04   0.10     0.00   0.00   0.00     0.01   0.00   0.01
    20   1     0.04   0.03  -0.11     0.00  -0.01   0.00    -0.00   0.03   0.00
    21   6     0.03  -0.02   0.02     0.00  -0.01  -0.03    -0.00  -0.02  -0.05
    22   6     0.05   0.02  -0.03    -0.01   0.01   0.09     0.01   0.00   0.02
    23   6     0.14  -0.06   0.04     0.02  -0.02  -0.18     0.02   0.00   0.00
    24   8    -0.02   0.05  -0.00     0.00   0.00  -0.02    -0.00   0.01  -0.01
    25   6    -0.07  -0.04  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    26   1     0.14   0.00  -0.05     0.01  -0.00  -0.03     0.03  -0.01  -0.12
    27   1     0.02  -0.02  -0.11    -0.01   0.00   0.04    -0.04   0.03   0.34
    28   1     0.29  -0.05  -0.13    -0.06   0.09   0.87     0.03   0.01   0.04
    29   1    -0.03  -0.03   0.00     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    30   1    -0.03  -0.04   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.09  -0.08  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    937.7349               948.3059               978.3158
 Red. masses --      4.3978                 1.3319                 1.6526
 Frc consts  --      2.2785                 0.7057                 0.9319
 IR Inten    --     10.4377                 1.8608                 1.6245
 RamAct Fr= 1--      5.3130                 0.7888                 7.4238
  Dep-P Fr= 1--      0.2901                 0.6273                 0.1984
  Dep-U Fr= 1--      0.4497                 0.7710                 0.3310
 Alpha2 Fr= 1--      0.0561                 0.0018                 0.1013
 Beta2  Fr= 1--      0.3982                 0.1014                 0.4096
 AlphaG Fr= 1--     -0.0253                 0.0187                -0.3365
 Gamma2 Fr= 1--     -4.2860                -0.1013                -3.2034
 Delta2 Fr= 1--      0.1573                -0.0578                -0.4318
 Raman1 Fr= 1--      21.252                  3.155                 29.695
 ROA1   Fr= 1--    -406.424                -11.575               -321.341
 CID1   Fr= 1--     -19.124                 -3.668                -10.821
 Raman2 Fr= 1--       4.778                  1.216                  4.915
 ROA2   Fr= 1--    -104.123                 -1.968                -73.426
 CID2   Fr= 1--     -21.791                 -1.618                -14.938
 Raman3 Fr= 1--       9.556                  2.433                  9.831
 ROA3   Fr= 1--    -406.424                -11.575               -321.341
 CID3   Fr= 1--     -42.529                 -4.758                -32.688
 RC180  Fr= 1--      -0.101                  0.542                 -0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.06   0.01    -0.01   0.00   0.03    -0.01  -0.01  -0.01
     2   6    -0.06  -0.07   0.00    -0.00  -0.00   0.01     0.00   0.01  -0.02
     3   6    -0.13  -0.13  -0.02    -0.00  -0.01  -0.05    -0.00   0.07   0.01
     4   6    -0.13  -0.02   0.01    -0.01   0.00   0.02     0.03  -0.01   0.01
     5   6     0.17   0.20  -0.01     0.01   0.01  -0.01    -0.02  -0.07  -0.10
     6   6     0.05   0.01  -0.01     0.00   0.00   0.00    -0.01   0.07   0.10
     7   6     0.04   0.04   0.02     0.01  -0.01  -0.12    -0.01  -0.05   0.01
     8   1    -0.19  -0.13   0.12    -0.03   0.02   0.24     0.00   0.06  -0.07
     9   1     0.27   0.11  -0.01     0.01   0.01   0.08    -0.05  -0.02   0.64
    10   1    -0.21  -0.03   0.05    -0.01  -0.00  -0.03     0.16   0.01  -0.63
    11   6     0.05  -0.02  -0.08     0.01   0.00   0.00     0.01  -0.00   0.03
    12   6     0.08   0.02   0.01     0.00  -0.00  -0.01    -0.03   0.00  -0.02
    13   6    -0.01  -0.03   0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.16  -0.02  -0.10     0.01   0.00   0.01     0.04   0.01   0.10
    15   1     0.08   0.11   0.31    -0.00   0.00   0.02    -0.04  -0.07  -0.09
    16   1    -0.16  -0.07  -0.15    -0.02  -0.02  -0.03     0.01  -0.04  -0.02
    17   1    -0.07   0.03   0.12    -0.01   0.00   0.01     0.05   0.00   0.04
    18   8    -0.03  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8     0.02   0.01   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.01
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00    -0.00  -0.01  -0.01
    21   6     0.16   0.20  -0.03     0.00   0.02   0.09     0.04   0.08  -0.01
    22   6    -0.12  -0.02  -0.00    -0.01  -0.00  -0.00    -0.02  -0.00  -0.01
    23   6    -0.14  -0.13  -0.00    -0.00  -0.01  -0.01    -0.01  -0.08   0.03
    24   8    -0.00  -0.08   0.01    -0.00  -0.00   0.00    -0.00  -0.02   0.00
    25   6     0.11   0.08   0.00     0.00   0.00   0.00     0.02   0.01   0.00
    26   1    -0.17  -0.02  -0.16    -0.07   0.08   0.74    -0.14  -0.08  -0.06
    27   1     0.23   0.14   0.14     0.06  -0.05  -0.58    -0.01   0.13   0.00
    28   1    -0.23  -0.15   0.02    -0.01  -0.00   0.05    -0.03  -0.10  -0.07
    29   1     0.05   0.06  -0.01     0.01   0.01   0.00     0.00   0.01  -0.00
    30   1     0.05   0.06   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    31   1     0.13   0.12   0.00     0.01   0.00  -0.02     0.03   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.3636              1011.2234              1069.8029
 Red. masses --      2.3418                 1.7381                 3.6666
 Frc consts  --      1.3288                 1.0472                 2.4724
 IR Inten    --      1.8293                 6.1291                56.9896
 RamAct Fr= 1--     13.0649                 2.4839                 3.4733
  Dep-P Fr= 1--      0.1530                 0.3779                 0.0922
  Dep-U Fr= 1--      0.2654                 0.5485                 0.1689
 Alpha2 Fr= 1--      0.2004                 0.0199                 0.0620
 Beta2  Fr= 1--      0.5779                 0.2271                 0.0978
 AlphaG Fr= 1--      0.2967                 0.0108                 0.0033
 Gamma2 Fr= 1--      3.6093                 0.5723                 0.0486
 Delta2 Fr= 1--      0.8552                -0.4375                 0.0332
 Raman1 Fr= 1--      52.260                  9.936                 13.893
 ROA1   Fr= 1--     373.861                 40.944                  5.727
 CID1   Fr= 1--       7.154                  4.121                  0.412
 Raman2 Fr= 1--       6.935                  2.725                  1.173
 ROA2   Fr= 1--      79.782                 17.236                  0.901
 CID2   Fr= 1--      11.504                  6.326                  0.768
 Raman3 Fr= 1--      13.870                  5.450                  2.347
 ROA3   Fr= 1--     373.861                 40.944                  5.727
 CID3   Fr= 1--      26.954                  7.513                  2.440
 RC180  Fr= 1--      -0.469                  0.097                 -0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.02   0.01  -0.00    -0.02  -0.01  -0.00
     2   6    -0.00  -0.02  -0.01    -0.02  -0.02  -0.00    -0.06   0.05  -0.01
     3   6    -0.01  -0.13   0.02    -0.01  -0.03   0.01     0.02  -0.05   0.01
     4   6    -0.06   0.01   0.01     0.05  -0.07  -0.01     0.01   0.00   0.00
     5   6     0.06   0.11  -0.10     0.03   0.10   0.01     0.03   0.04  -0.00
     6   6    -0.02  -0.08   0.09    -0.03   0.02  -0.01    -0.00  -0.04   0.00
     7   6     0.02   0.09  -0.00     0.01   0.01   0.00    -0.03   0.03  -0.01
     8   1    -0.02  -0.14  -0.01    -0.13  -0.06  -0.04     0.04  -0.05   0.01
     9   1    -0.04   0.24   0.51    -0.02   0.16  -0.11    -0.04   0.11  -0.01
    10   1    -0.19  -0.20  -0.50    -0.22  -0.02   0.02     0.02  -0.04   0.00
    11   6     0.00  -0.01  -0.03     0.06  -0.05   0.12    -0.00   0.01  -0.00
    12   6     0.03  -0.00   0.01    -0.08   0.03  -0.10    -0.01  -0.01   0.01
    13   6    -0.00  -0.01  -0.00    -0.01   0.07   0.01     0.00  -0.01   0.00
    14   1    -0.01  -0.01  -0.08     0.39  -0.01   0.48    -0.00   0.01  -0.03
    15   1     0.05   0.09   0.15    -0.18  -0.34  -0.29     0.00   0.01  -0.02
    16   1    -0.05   0.02  -0.03    -0.00  -0.26  -0.14     0.02   0.03   0.03
    17   1    -0.06   0.00  -0.01     0.21   0.03   0.27    -0.00  -0.01  -0.03
    18   8    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00   0.00   0.00
    19   8     0.01   0.00   0.01    -0.01  -0.01  -0.03     0.00   0.00  -0.00
    20   1     0.01   0.00   0.02    -0.01  -0.02  -0.01     0.00  -0.00   0.00
    21   6    -0.06  -0.14   0.01    -0.00  -0.01   0.00     0.04   0.10  -0.01
    22   6     0.04   0.00  -0.00     0.01   0.00   0.00     0.15  -0.08   0.02
    23   6     0.01   0.14  -0.00     0.01   0.01  -0.00    -0.05  -0.08   0.00
    24   8     0.00   0.03  -0.00     0.00   0.01  -0.00     0.19   0.19  -0.00
    25   6    -0.03  -0.02  -0.00    -0.01  -0.00  -0.00    -0.21  -0.18   0.00
    26   1     0.26   0.13  -0.03     0.06   0.02   0.00    -0.24  -0.02  -0.02
    27   1     0.03  -0.23   0.03    -0.00  -0.01   0.00    -0.08   0.25  -0.03
    28   1     0.07   0.15  -0.07     0.05   0.03   0.00    -0.67  -0.24  -0.03
    29   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13   0.02
    30   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13  -0.01
    31   1    -0.05  -0.05   0.00    -0.01  -0.01   0.00    -0.18  -0.14   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1088.3007              1103.8713              1165.9612
 Red. masses --      1.7831                 2.5888                 1.6234
 Frc consts  --      1.2443                 1.8586                 1.3003
 IR Inten    --     14.6257                10.3216                20.9241
 RamAct Fr= 1--      2.3490                 8.7955                 1.4643
  Dep-P Fr= 1--      0.2449                 0.3413                 0.7339
  Dep-U Fr= 1--      0.3934                 0.5089                 0.8466
 Alpha2 Fr= 1--      0.0282                 0.0794                 0.0004
 Beta2  Fr= 1--      0.1540                 0.7460                 0.2066
 AlphaG Fr= 1--     -0.0158                 0.1084                 0.0016
 Gamma2 Fr= 1--      0.1539                -0.2330                 3.1599
 Delta2 Fr= 1--     -0.7517                 0.9473                 4.6079
 Raman1 Fr= 1--       9.396                 35.182                  5.857
 ROA1   Fr= 1--      -9.276                  7.943                450.799
 CID1   Fr= 1--      -0.987                  0.226                 76.965
 Raman2 Fr= 1--       1.848                  8.951                  2.479
 ROA2   Fr= 1--       9.708                -13.172                 38.974
 CID2   Fr= 1--       5.252                 -1.471                 15.720
 Raman3 Fr= 1--       3.697                 17.903                  4.958
 ROA3   Fr= 1--      -9.276                  7.943                450.799
 CID3   Fr= 1--      -2.509                  0.444                 90.915
 RC180  Fr= 1--      -0.213                  0.018                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.03   0.02  -0.00    -0.01   0.08  -0.01
     2   6     0.01   0.01  -0.00     0.01   0.00  -0.00     0.01   0.06  -0.01
     3   6    -0.01   0.00   0.01    -0.04  -0.05   0.01     0.02  -0.07   0.01
     4   6    -0.06   0.05  -0.06     0.04  -0.01  -0.02     0.05  -0.02  -0.00
     5   6    -0.01  -0.04   0.01     0.02   0.03   0.00    -0.02   0.04  -0.01
     6   6     0.02  -0.02   0.00    -0.00  -0.00   0.00     0.02  -0.06   0.01
     7   6    -0.00   0.01  -0.00    -0.00  -0.01   0.00     0.03  -0.07   0.01
     8   1     0.13   0.02  -0.05    -0.25  -0.11  -0.04    -0.20  -0.13  -0.02
     9   1     0.03  -0.10  -0.02    -0.03   0.08  -0.01    -0.32   0.36  -0.07
    10   1     0.12  -0.00   0.00    -0.09  -0.02  -0.01     0.16  -0.03   0.01
    11   6    -0.03   0.01   0.13     0.13   0.20   0.13    -0.05   0.01   0.01
    12   6     0.10  -0.04  -0.11    -0.07  -0.16  -0.04     0.02  -0.01  -0.00
    13   6     0.00   0.07   0.06     0.03  -0.07   0.12    -0.01   0.01  -0.07
    14   1    -0.27   0.03   0.33     0.10   0.17  -0.19    -0.22   0.02   0.09
    15   1     0.10   0.12   0.47     0.05   0.19  -0.16     0.03   0.03   0.09
    16   1    -0.38  -0.16  -0.43     0.06   0.26   0.16    -0.06   0.00  -0.04
    17   1    -0.29  -0.02   0.05    -0.22  -0.18  -0.61    -0.07  -0.00  -0.00
    18   8     0.04   0.00  -0.01     0.00   0.01  -0.00    -0.01  -0.01   0.00
    19   8    -0.03  -0.02  -0.05    -0.04  -0.00  -0.07     0.02   0.01   0.02
    20   1    -0.03  -0.01  -0.06    -0.07  -0.03  -0.27     0.05   0.03   0.19
    21   6     0.01  -0.00   0.00     0.02   0.01   0.00    -0.04   0.04  -0.01
    22   6     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    23   6    -0.01   0.01  -0.00     0.01  -0.02   0.00     0.03  -0.06   0.01
    24   8     0.00   0.00  -0.00    -0.02  -0.01  -0.00    -0.06  -0.02  -0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.04   0.03   0.00
    26   1    -0.04   0.01  -0.00     0.04  -0.01   0.00     0.34  -0.01   0.03
    27   1     0.04  -0.04   0.01    -0.00   0.03  -0.00    -0.42   0.44  -0.08
    28   1    -0.06  -0.01  -0.00     0.03  -0.01   0.00    -0.07  -0.09   0.00
    29   1     0.00  -0.00   0.00     0.01   0.01  -0.00    -0.01   0.01  -0.01
    30   1     0.00  -0.00   0.00     0.01   0.01   0.00     0.00   0.02  -0.00
    31   1    -0.01  -0.00   0.00     0.01   0.01   0.00     0.00  -0.02  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5447              1177.3261              1184.8988
 Red. masses --      1.2709                 2.2582                 1.5629
 Frc consts  --      1.0295                 1.8442                 1.2928
 IR Inten    --      0.9501                54.7240                34.9415
 RamAct Fr= 1--      1.0199                22.9188                 3.2315
  Dep-P Fr= 1--      0.7461                 0.4885                 0.2740
  Dep-U Fr= 1--      0.8546                 0.6564                 0.4302
 Alpha2 Fr= 1--      0.0001                 0.1193                 0.0358
 Beta2  Fr= 1--      0.1453                 2.5073                 0.2317
 AlphaG Fr= 1--     -0.0077                -0.0769                -0.0086
 Gamma2 Fr= 1--     -0.1368               -12.8854                -0.0780
 Delta2 Fr= 1--     -0.1305                -5.6066                 0.0227
 Raman1 Fr= 1--       4.080                 91.675                 12.926
 ROA1   Fr= 1--     -17.306              -1416.412                 -6.758
 CID1   Fr= 1--      -4.242                -15.450                 -0.523
 Raman2 Fr= 1--       1.743                 30.087                  2.780
 ROA2   Fr= 1--      -2.239               -264.398                 -2.052
 CID2   Fr= 1--      -1.284                 -8.788                 -0.738
 Raman3 Fr= 1--       3.486                 60.175                  5.560
 ROA3   Fr= 1--     -17.306              -1416.412                 -6.758
 CID3   Fr= 1--      -4.964                -23.538                 -1.215
 RC180  Fr= 1--       0.709                  0.313                 -0.140
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.02  -0.00     0.01   0.03  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.03  -0.00    -0.08  -0.05  -0.00
     3   6     0.00  -0.00   0.00     0.02  -0.01  -0.01     0.03   0.02   0.00
     4   6     0.00  -0.00  -0.00    -0.05   0.01   0.02     0.01  -0.03   0.00
     5   6    -0.00   0.00   0.00    -0.02   0.01  -0.01     0.05  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.02  -0.03   0.00    -0.02   0.05  -0.01
     7   6     0.00  -0.00   0.00     0.02  -0.02   0.00     0.05  -0.03   0.01
     8   1    -0.00  -0.00  -0.00     0.18   0.03   0.05    -0.01   0.01  -0.00
     9   1    -0.00   0.00  -0.00    -0.13   0.12  -0.00     0.33  -0.30   0.06
    10   1     0.00  -0.00  -0.00     0.15  -0.01   0.02    -0.21   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.01  -0.06  -0.09    -0.03   0.01   0.00
    12   6     0.00  -0.00  -0.00     0.01   0.07   0.01     0.01  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.04  -0.01   0.24     0.00  -0.00   0.01
    14   1    -0.00   0.00   0.00     0.17  -0.08  -0.29    -0.06   0.01  -0.03
    15   1     0.00   0.00   0.00    -0.04  -0.11  -0.03     0.02   0.03   0.05
    16   1    -0.00   0.00  -0.00     0.03  -0.11  -0.03    -0.03   0.01  -0.03
    17   1    -0.00  -0.00  -0.00     0.14   0.08   0.21    -0.03  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.06   0.02  -0.02     0.01   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.08  -0.02  -0.06    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.01    -0.16  -0.08  -0.62    -0.01  -0.00  -0.02
    21   6    -0.00   0.00   0.00    -0.02   0.02  -0.00    -0.06  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.02  -0.01   0.00    -0.06   0.05  -0.01
    23   6     0.00  -0.00  -0.00     0.01  -0.02   0.00    -0.04  -0.03   0.00
    24   8    -0.01   0.01   0.06    -0.03  -0.01  -0.00     0.05   0.05  -0.00
    25   6     0.01  -0.01  -0.14     0.01   0.02  -0.00     0.02  -0.10   0.01
    26   1     0.00  -0.00  -0.00     0.23   0.03   0.02     0.44   0.05   0.03
    27   1    -0.00   0.00   0.01    -0.22   0.23  -0.04    -0.25   0.20  -0.04
    28   1    -0.00   0.00   0.01    -0.06  -0.04   0.00     0.27   0.04   0.02
    29   1     0.44   0.48   0.17     0.02   0.01  -0.00    -0.25  -0.01   0.04
    30   1    -0.47  -0.44   0.19     0.01  -0.00   0.01    -0.24  -0.02  -0.07
    31   1    -0.02   0.03   0.28    -0.03  -0.04   0.01     0.30   0.31  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.0584              1200.7887              1213.9668
 Red. masses --      1.4851                 1.3469                 1.6612
 Frc consts  --      1.2371                 1.1442                 1.4424
 IR Inten    --     38.3792                28.9384                30.9831
 RamAct Fr= 1--      2.3762                67.2092                45.3287
  Dep-P Fr= 1--      0.7433                 0.2699                 0.2751
  Dep-U Fr= 1--      0.8528                 0.4250                 0.4315
 Alpha2 Fr= 1--      0.0003                 0.7529                 0.5002
 Beta2  Fr= 1--      0.3377                 4.7610                 3.2597
 AlphaG Fr= 1--      0.0006                 0.0033                -0.0242
 Gamma2 Fr= 1--      2.7967                 6.3026                -1.8042
 Delta2 Fr= 1--      0.1539                 3.2241                -0.3948
 Raman1 Fr= 1--       9.505                268.837                181.315
 ROA1   Fr= 1--     273.413                708.217               -185.838
 CID1   Fr= 1--      28.766                  2.634                 -1.025
 Raman2 Fr= 1--       4.053                 57.132                 39.116
 ROA2   Fr= 1--      65.890                125.469                -40.142
 CID2   Fr= 1--      16.258                  2.196                 -1.026
 Raman3 Fr= 1--       8.105                114.265                 78.233
 ROA3   Fr= 1--     273.413                708.217               -185.838
 CID3   Fr= 1--      33.732                  6.198                 -2.375
 RC180  Fr= 1--       0.706                 -0.150                 -0.137
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.04  -0.00    -0.05  -0.02  -0.00    -0.01   0.02  -0.00
     2   6    -0.10  -0.01  -0.01    -0.02  -0.02   0.00    -0.09  -0.04  -0.00
     3   6     0.01  -0.02   0.00     0.02   0.03   0.00     0.03   0.00   0.00
     4   6    -0.04  -0.01  -0.00    -0.07   0.01  -0.01     0.10  -0.06   0.01
     5   6    -0.04   0.03  -0.01     0.00  -0.02   0.00     0.04   0.02   0.00
     6   6     0.06   0.01   0.00    -0.00   0.00  -0.00    -0.01   0.06  -0.01
     7   6     0.03   0.02   0.00     0.03   0.03  -0.00     0.00  -0.00   0.00
     8   1     0.31   0.05   0.01     0.45   0.13   0.01    -0.36  -0.09  -0.02
     9   1    -0.23   0.24  -0.05     0.24  -0.27   0.04     0.12  -0.06   0.02
    10   1     0.65   0.14   0.04    -0.16  -0.03  -0.01    -0.07   0.05  -0.01
    11   6     0.02   0.01   0.02     0.04   0.01   0.03    -0.07   0.02  -0.02
    12   6    -0.01  -0.02  -0.00    -0.01  -0.03  -0.00     0.03   0.02  -0.00
    13   6    -0.00  -0.01  -0.02    -0.00  -0.01  -0.04     0.01   0.00   0.03
    14   1     0.16   0.01   0.02     0.22   0.01   0.06    -0.31   0.01  -0.08
    15   1     0.00   0.01  -0.01     0.01   0.03  -0.02     0.02   0.01   0.07
    16   1     0.01   0.02   0.02     0.02   0.04   0.04    -0.06  -0.01  -0.06
    17   1    -0.01  -0.02  -0.05    -0.01  -0.03  -0.08    -0.04   0.02   0.06
    18   8    -0.01  -0.00   0.00    -0.02  -0.00   0.00     0.02   0.01  -0.01
    19   8     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.00  -0.01
    20   1     0.02   0.02   0.08     0.03   0.02   0.10    -0.02  -0.01  -0.09
    21   6     0.00   0.02  -0.00    -0.02   0.03  -0.01    -0.01   0.02  -0.00
    22   6    -0.06  -0.02  -0.00     0.05  -0.04   0.01    -0.01  -0.04   0.00
    23   6     0.02  -0.01   0.00     0.01   0.01   0.00     0.00   0.00  -0.00
    24   8     0.05   0.01   0.00    -0.02  -0.03   0.00     0.06  -0.03   0.01
    25   6    -0.03  -0.03   0.00    -0.03   0.07  -0.01    -0.08   0.06  -0.01
    26   1     0.14   0.05   0.01     0.38   0.11   0.02    -0.11  -0.03  -0.01
    27   1     0.13  -0.11   0.02    -0.24   0.27  -0.05    -0.04   0.05  -0.01
    28   1     0.46   0.10   0.03    -0.12  -0.03  -0.01     0.41   0.10   0.02
    29   1     0.00  -0.01   0.01     0.20   0.00  -0.03     0.31  -0.01  -0.03
    30   1     0.01  -0.01  -0.01     0.19   0.01   0.06     0.30  -0.00   0.08
    31   1     0.02   0.04  -0.00    -0.25  -0.27   0.01    -0.36  -0.35   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1280.1118              1284.2062              1296.2470
 Red. masses --      2.4248                 1.5381                 1.7678
 Frc consts  --      2.3411                 1.4946                 1.7501
 IR Inten    --     45.4043                31.7148                24.1869
 RamAct Fr= 1--     10.2062                 5.7261                 2.8739
  Dep-P Fr= 1--      0.3167                 0.7477                 0.5481
  Dep-U Fr= 1--      0.4811                 0.8556                 0.7081
 Alpha2 Fr= 1--      0.0995                 0.0002                 0.0111
 Beta2  Fr= 1--      0.8183                 0.8166                 0.3392
 AlphaG Fr= 1--     -0.0590                -0.0009                -0.0032
 Gamma2 Fr= 1--     -0.2035                -5.4537                11.3275
 Delta2 Fr= 1--     -0.1362                -0.0962                -0.3634
 Raman1 Fr= 1--      40.825                 22.905                 11.495
 ROA1   Fr= 1--     -23.899               -526.635               1075.809
 CID1   Fr= 1--      -0.585                -22.993                 93.586
 Raman2 Fr= 1--       9.820                  9.799                  4.070
 ROA2   Fr= 1--      -3.795               -130.120                274.767
 CID2   Fr= 1--      -0.386                -13.279                 67.512
 Raman3 Fr= 1--      19.640                 19.598                  8.140
 ROA3   Fr= 1--     -23.899               -526.635               1075.809
 CID3   Fr= 1--      -1.217                -26.872                132.166
 RC180  Fr= 1--      -0.038                  0.711                  0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22   0.06   0.01     0.02   0.05  -0.00    -0.05   0.13  -0.02
     2   6     0.01   0.02  -0.00    -0.00   0.03  -0.00    -0.03   0.14  -0.02
     3   6    -0.04  -0.00  -0.00     0.03   0.03   0.00     0.03  -0.06   0.01
     4   6    -0.15   0.13  -0.02     0.01  -0.08  -0.00    -0.03   0.01   0.00
     5   6    -0.00   0.00  -0.00     0.01   0.01  -0.00     0.03  -0.01   0.00
     6   6    -0.02  -0.06   0.01    -0.00  -0.01   0.00    -0.02  -0.06   0.01
     7   6     0.02  -0.05   0.01     0.00  -0.03   0.00    -0.02  -0.05   0.00
     8   1    -0.37  -0.07  -0.02     0.19   0.07  -0.01     0.45   0.03   0.04
     9   1     0.12  -0.14   0.02    -0.08   0.10  -0.01     0.08  -0.07   0.01
    10   1     0.34   0.01   0.03    -0.21  -0.05  -0.01    -0.35  -0.14  -0.02
    11   6     0.07  -0.03   0.01    -0.14   0.03   0.05     0.03  -0.01  -0.04
    12   6    -0.03  -0.01  -0.00     0.05  -0.00  -0.02    -0.01  -0.02   0.01
    13   6    -0.00  -0.00   0.01     0.02  -0.05   0.04    -0.01   0.02  -0.04
    14   1     0.37  -0.02   0.06     0.63  -0.01  -0.39    -0.09   0.02   0.29
    15   1    -0.02   0.00  -0.04     0.03  -0.00   0.14     0.02   0.05  -0.02
    16   1     0.07  -0.00   0.05    -0.11   0.01  -0.10     0.03   0.04   0.05
    17   1     0.07  -0.01  -0.02    -0.13   0.00   0.04     0.02  -0.02  -0.04
    18   8    -0.02  -0.01   0.00    -0.02   0.00  -0.01     0.02   0.00   0.01
    19   8     0.01   0.00  -0.02     0.01   0.01  -0.04    -0.01  -0.00   0.03
    20   1     0.04   0.02   0.17     0.07   0.05   0.39    -0.05  -0.03  -0.28
    21   6    -0.05  -0.04   0.00    -0.00  -0.01   0.00     0.04  -0.00   0.00
    22   6    -0.05   0.03  -0.01    -0.00  -0.01   0.00    -0.00  -0.03   0.00
    23   6    -0.07  -0.02  -0.00     0.01  -0.00   0.00     0.03  -0.06   0.01
    24   8     0.07  -0.01   0.01    -0.01   0.00  -0.00    -0.01   0.01  -0.00
    25   6    -0.04   0.00  -0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    26   1    -0.26  -0.13  -0.01    -0.26  -0.09  -0.01    -0.39  -0.13  -0.02
    27   1    -0.32   0.24  -0.05    -0.00  -0.00   0.00     0.03   0.01   0.00
    28   1     0.29   0.07   0.02     0.07   0.01   0.01     0.47   0.05   0.03
    29   1     0.11  -0.00  -0.00    -0.01   0.00   0.00    -0.02   0.00   0.00
    30   1     0.11  -0.00   0.02    -0.01   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.11  -0.11   0.00     0.02   0.01  -0.00     0.02   0.01  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.7568              1310.3905              1340.5377
 Red. masses --      2.5313                 1.6577                 1.7942
 Frc consts  --      2.5467                 1.6771                 1.8997
 IR Inten    --    237.6773               173.7708               124.7663
 RamAct Fr= 1--     34.9767                 6.8958                 5.1618
  Dep-P Fr= 1--      0.2329                 0.2916                 0.6300
  Dep-U Fr= 1--      0.3778                 0.4515                 0.7730
 Alpha2 Fr= 1--      0.4347                 0.0725                 0.0113
 Beta2  Fr= 1--      2.2022                 0.5189                 0.6650
 AlphaG Fr= 1--     -0.0985                 0.0834                -0.0232
 Gamma2 Fr= 1--     -0.2614                -3.9033                -0.4397
 Delta2 Fr= 1--      0.5426                -1.1397                 1.2306
 Raman1 Fr= 1--     139.907                 27.583                 20.647
 ROA1   Fr= 1--      -7.731               -411.189                 -2.835
 CID1   Fr= 1--      -0.055                -14.907                 -0.137
 Raman2 Fr= 1--      26.426                  6.227                  7.980
 ROA2   Fr= 1--     -10.615                -84.563                -20.399
 CID2   Fr= 1--      -0.402                -13.581                 -2.556
 Raman3 Fr= 1--      52.852                 12.453                 15.960
 ROA3   Fr= 1--      -7.731               -411.189                 -2.835
 CID3   Fr= 1--      -0.146                -33.018                 -0.178
 RC180  Fr= 1--      -0.244                 -0.097                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03   0.01    -0.05   0.01  -0.01    -0.01  -0.00  -0.00
     2   6    -0.12  -0.08  -0.00    -0.04   0.02  -0.01    -0.01  -0.01   0.00
     3   6     0.02   0.04  -0.00     0.01  -0.05   0.01     0.01   0.01  -0.01
     4   6    -0.02  -0.02  -0.00     0.00   0.06  -0.00     0.01  -0.03   0.02
     5   6    -0.00   0.04  -0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.00    -0.01  -0.01   0.00     0.01   0.01  -0.00
     7   6     0.02   0.09  -0.01    -0.01   0.02  -0.00     0.00   0.00  -0.00
     8   1    -0.25  -0.02  -0.02     0.03  -0.05   0.00    -0.01   0.02   0.04
     9   1     0.17  -0.14   0.03     0.16  -0.17   0.03    -0.02   0.03   0.01
    10   1     0.34   0.11   0.02     0.03  -0.00   0.01    -0.04   0.00  -0.00
    11   6    -0.03   0.01  -0.01     0.10  -0.02   0.04    -0.02   0.01  -0.17
    12   6     0.01  -0.02   0.00    -0.03   0.05  -0.02     0.01  -0.05   0.05
    13   6    -0.00  -0.01  -0.04     0.00   0.01   0.09     0.00   0.04   0.15
    14   1     0.19   0.03   0.14    -0.44  -0.08  -0.42     0.07   0.11   0.75
    15   1     0.03   0.06   0.05    -0.08  -0.11  -0.08     0.08   0.14  -0.06
    16   1    -0.02   0.06   0.01     0.05  -0.14  -0.04    -0.02   0.12   0.08
    17   1    -0.05  -0.02  -0.03     0.13   0.06   0.11    -0.04  -0.06  -0.18
    18   8     0.02   0.01   0.01    -0.04  -0.02  -0.01    -0.02  -0.01  -0.02
    19   8    -0.01   0.00   0.04     0.02   0.00  -0.08     0.01  -0.01  -0.08
    20   1    -0.05  -0.02  -0.26     0.12   0.06   0.61     0.08   0.06   0.49
    21   6     0.02  -0.03   0.01     0.03  -0.00   0.00    -0.00   0.00  -0.00
    22   6     0.18  -0.14   0.03     0.06  -0.04   0.01     0.01  -0.01   0.00
    23   6     0.02   0.04  -0.00     0.02  -0.02   0.00     0.01   0.01  -0.00
    24   8    -0.14   0.04  -0.02    -0.05   0.01  -0.01    -0.01   0.00  -0.00
    25   6     0.09   0.00   0.01     0.03   0.00   0.00     0.00   0.00   0.00
    26   1    -0.45  -0.02  -0.04    -0.09   0.01  -0.01    -0.01   0.00   0.00
    27   1    -0.23   0.24  -0.04    -0.00   0.04  -0.00     0.00  -0.00   0.00
    28   1     0.14   0.06   0.00     0.15   0.01   0.01    -0.04  -0.00  -0.00
    29   1    -0.26  -0.00  -0.00    -0.08   0.00  -0.00    -0.01   0.00   0.00
    30   1    -0.26  -0.00  -0.04    -0.08   0.00  -0.01    -0.01   0.00  -0.00
    31   1     0.08   0.01   0.01     0.03   0.01   0.00     0.01   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1383.0869              1402.2030              1416.1768
 Red. masses --      2.5203                 2.6303                 2.0517
 Frc consts  --      2.8406                 3.0471                 2.4244
 IR Inten    --     14.1464                 4.9147                 5.2270
 RamAct Fr= 1--    111.9240                76.9919               339.8044
  Dep-P Fr= 1--      0.2191                 0.1767                 0.2135
  Dep-U Fr= 1--      0.3595                 0.3003                 0.3519
 Alpha2 Fr= 1--      1.4441                 1.1114                 4.4508
 Beta2  Fr= 1--      6.7057                 3.8540                19.9314
 AlphaG Fr= 1--      0.2203                -0.2454                -1.1411
 Gamma2 Fr= 1--      2.3772                 0.0585                -6.9338
 Delta2 Fr= 1--     -1.1337                -1.8620                 0.6118
 Raman1 Fr= 1--     447.696                307.968               1359.218
 ROA1   Fr= 1--     191.930                -53.969               -646.071
 CID1   Fr= 1--       0.429                 -0.175                 -0.475
 Raman2 Fr= 1--      80.469                 46.248                239.177
 ROA2   Fr= 1--      66.122                 16.300               -171.306
 CID2   Fr= 1--       0.822                  0.352                 -0.716
 Raman3 Fr= 1--     160.937                 92.497                478.354
 ROA3   Fr= 1--     191.930                -53.969               -646.071
 CID3   Fr= 1--       1.193                 -0.583                 -1.351
 RC180  Fr= 1--      -0.281                 -0.399                 -0.296
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.13  -0.02    -0.05  -0.06   0.00     0.02  -0.13   0.02
     2   6    -0.05  -0.06   0.00    -0.07   0.12  -0.02    -0.03   0.13  -0.02
     3   6     0.08  -0.07   0.02     0.11   0.02   0.01    -0.06  -0.03  -0.00
     4   6     0.04   0.08  -0.01    -0.03   0.04  -0.01     0.07   0.10  -0.01
     5   6     0.00   0.04  -0.00    -0.07   0.05  -0.01     0.07  -0.05   0.01
     6   6    -0.07  -0.02  -0.00     0.02  -0.08   0.01    -0.10  -0.02  -0.01
     7   6    -0.14  -0.05  -0.01     0.11  -0.05   0.01    -0.01   0.02  -0.00
     8   1    -0.08  -0.12   0.00    -0.49  -0.12  -0.03    -0.10  -0.05  -0.00
     9   1     0.32  -0.29   0.06     0.28  -0.34   0.06     0.07  -0.03   0.02
    10   1     0.46   0.10   0.03    -0.05  -0.11   0.01     0.03   0.01  -0.00
    11   6    -0.06  -0.02  -0.01    -0.01  -0.01   0.00    -0.04  -0.01  -0.00
    12   6     0.01  -0.01  -0.01    -0.02  -0.02  -0.03     0.06   0.04   0.10
    13   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    14   1     0.32  -0.00   0.05     0.15  -0.01   0.02     0.23  -0.01   0.00
    15   1     0.02   0.03   0.06     0.02   0.11   0.15    -0.01  -0.25  -0.45
    16   1     0.01   0.07   0.02     0.12   0.09   0.09    -0.39  -0.19  -0.26
    17   1    -0.03  -0.01   0.05     0.08  -0.01   0.14    -0.25   0.00  -0.39
    18   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.01
    20   1    -0.00   0.00  -0.01    -0.01   0.01  -0.02    -0.00  -0.00  -0.02
    21   6     0.05  -0.03   0.01    -0.13   0.11  -0.02    -0.01   0.03  -0.00
    22   6     0.10   0.17  -0.01    -0.07  -0.07   0.00     0.02  -0.03   0.00
    23   6     0.01  -0.10   0.01     0.19   0.03   0.01     0.03  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00    -0.01   0.00  -0.00
    25   6    -0.00   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00   0.00
    26   1     0.26   0.04   0.02    -0.02  -0.09   0.01     0.23   0.08   0.01
    27   1     0.30  -0.28   0.05     0.23  -0.28   0.05     0.06  -0.04   0.01
    28   1    -0.18  -0.16   0.00    -0.29  -0.08  -0.02     0.16   0.00   0.01
    29   1     0.02  -0.03  -0.03     0.08   0.01   0.02    -0.03  -0.01  -0.01
    30   1     0.01  -0.02   0.04     0.08   0.01  -0.00    -0.03  -0.00   0.00
    31   1    -0.07  -0.06   0.00     0.10   0.15  -0.01    -0.01  -0.02   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1420.1996              1456.8193              1480.0713
 Red. masses --      1.8494                 3.5640                 1.2120
 Frc consts  --      2.1978                 4.4566                 1.5643
 IR Inten    --     10.1416                 1.7040                 7.8094
 RamAct Fr= 1--    179.4145               188.5698                 6.0791
  Dep-P Fr= 1--      0.1925                 0.2869                 0.5127
  Dep-U Fr= 1--      0.3228                 0.4458                 0.6779
 Alpha2 Fr= 1--      2.4854                 2.0108                 0.0283
 Beta2  Fr= 1--      9.6531                14.0118                 0.6868
 AlphaG Fr= 1--     -0.6055                 0.1681                -0.0177
 Gamma2 Fr= 1--     -0.0248                -2.2316                 0.3657
 Delta2 Fr= 1--      2.1731                 0.7793                -0.1973
 Raman1 Fr= 1--     717.658                754.279                 24.316
 ROA1   Fr= 1--      67.159               -189.295                 28.794
 CID1   Fr= 1--       0.094                 -0.251                  1.184
 Raman2 Fr= 1--     115.837                168.142                  8.242
 ROA2   Fr= 1--     -17.980                -59.793                 10.355
 CID2   Fr= 1--      -0.155                 -0.356                  1.256
 Raman3 Fr= 1--     231.674                336.283                 16.484
 ROA3   Fr= 1--      67.159               -189.295                 28.794
 CID3   Fr= 1--       0.290                 -0.563                  1.747
 RC180  Fr= 1--      -0.354                 -0.108                  0.356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.11   0.01    -0.16   0.01  -0.01    -0.02  -0.00  -0.00
     2   6     0.00   0.09  -0.01     0.18  -0.03   0.02     0.01  -0.01   0.00
     3   6    -0.08  -0.03  -0.00     0.13  -0.04   0.02    -0.02  -0.01  -0.00
     4   6     0.08   0.07  -0.00     0.03   0.16  -0.01     0.03   0.01   0.00
     5   6     0.08  -0.06   0.01    -0.14  -0.03  -0.01     0.01   0.01  -0.00
     6   6    -0.08   0.01  -0.01     0.14  -0.01   0.01    -0.03  -0.00  -0.00
     7   6    -0.03   0.03  -0.01    -0.11   0.02  -0.01    -0.00   0.03  -0.00
     8   1    -0.01  -0.02  -0.00    -0.46  -0.19  -0.02     0.05   0.00   0.00
     9   1    -0.07   0.10  -0.02    -0.01  -0.20   0.02     0.05  -0.04   0.01
    10   1    -0.02   0.03  -0.01    -0.25  -0.11  -0.01     0.09   0.03   0.00
    11   6    -0.04   0.00  -0.01    -0.05  -0.03  -0.00    -0.01  -0.00  -0.00
    12   6    -0.04  -0.05  -0.10     0.01   0.00   0.01     0.00  -0.00  -0.00
    13   6     0.01  -0.00   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.16   0.01   0.04     0.36  -0.02   0.03     0.01  -0.00   0.00
    15   1     0.01   0.22   0.47    -0.01  -0.05  -0.01     0.00  -0.01  -0.03
    16   1     0.38   0.27   0.28    -0.02   0.00  -0.01    -0.02   0.07   0.00
    17   1     0.15  -0.01   0.43    -0.07   0.00  -0.02    -0.03   0.00   0.05
    18   8    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.01  -0.00   0.03    -0.01   0.01  -0.02    -0.00  -0.00  -0.00
    21   6     0.02   0.00   0.00     0.13   0.02   0.01     0.04  -0.04   0.01
    22   6     0.02  -0.02   0.00    -0.07  -0.16   0.01     0.01  -0.01   0.00
    23   6    -0.02  -0.02   0.00    -0.13   0.06  -0.02     0.01   0.01   0.00
    24   8    -0.01   0.01  -0.00     0.02   0.04  -0.00    -0.04  -0.01  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.02   0.00    -0.08  -0.06  -0.00
    26   1     0.22   0.09   0.01     0.19   0.10   0.00    -0.09   0.02  -0.01
    27   1    -0.00   0.04  -0.00    -0.04   0.23  -0.03    -0.14   0.15  -0.03
    28   1     0.22   0.04   0.01     0.33   0.19   0.01    -0.04  -0.01  -0.00
    29   1    -0.05  -0.01  -0.01    -0.05   0.05   0.04     0.44   0.24   0.18
    30   1    -0.05  -0.00  -0.00    -0.05   0.04  -0.05     0.48   0.20  -0.15
    31   1    -0.03  -0.05   0.00     0.01  -0.02   0.00     0.30   0.49  -0.02
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.0570              1496.0769              1497.9596
 Red. masses --      1.0536                 1.0466                 1.0531
 Frc consts  --      1.3819                 1.3801                 1.3922
 IR Inten    --      7.7115                 8.0834                 6.9190
 RamAct Fr= 1--      6.5458                12.7048                 6.9490
  Dep-P Fr= 1--      0.7482                 0.7494                 0.6433
  Dep-U Fr= 1--      0.8560                 0.8567                 0.7829
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0134
 Beta2  Fr= 1--      0.9338                 1.8141                 0.9068
 AlphaG Fr= 1--      0.0004                 0.0025                 0.0759
 Gamma2 Fr= 1--      0.9343                -0.2020                 3.0103
 Delta2 Fr= 1--     -1.2712                 0.0574                 2.4241
 Raman1 Fr= 1--      26.183                 50.819                 27.796
 ROA1   Fr= 1--      49.013                -17.557                366.559
 CID1   Fr= 1--       1.872                 -0.345                 13.187
 Raman2 Fr= 1--      11.206                 21.769                 10.881
 ROA2   Fr= 1--      32.592                 -5.308                 52.855
 CID2   Fr= 1--       2.909                 -0.244                  4.857
 Raman3 Fr= 1--      22.411                 43.539                 21.763
 ROA3   Fr= 1--      49.013                -17.557                366.559
 CID3   Fr= 1--       2.187                 -0.403                 16.843
 RC180  Fr= 1--       0.712                  0.713                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     2   6     0.02   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.00
     5   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
     9   1     0.02  -0.02   0.00    -0.00   0.00   0.00    -0.02   0.02  -0.02
    10   1     0.03  -0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6     0.02  -0.02   0.01     0.00  -0.00   0.00    -0.03  -0.00   0.02
    12   6     0.02  -0.05  -0.00    -0.00  -0.00   0.00    -0.04  -0.02   0.02
    13   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.05  -0.03  -0.06     0.00  -0.00  -0.00     0.04  -0.01  -0.04
    15   1     0.12   0.19  -0.45     0.00   0.00  -0.00     0.18   0.59  -0.06
    16   1    -0.41   0.55  -0.07    -0.00   0.00  -0.00    -0.20  -0.29  -0.18
    17   1    -0.02   0.00   0.49     0.00  -0.00   0.00     0.65  -0.03  -0.14
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.00
    24   8     0.01   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.01  -0.06    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.03   0.01   0.00
    27   1    -0.01   0.01  -0.00     0.00  -0.00  -0.02     0.01   0.00   0.00
    28   1    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.02   0.00   0.00
    29   1    -0.05  -0.01  -0.01    -0.47   0.12   0.02     0.02   0.02   0.01
    30   1    -0.05  -0.01   0.01     0.46  -0.12   0.13     0.02   0.01  -0.01
    31   1    -0.03  -0.05   0.00    -0.06   0.07   0.71     0.01   0.02  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.3767              1525.3385              1547.6485
 Red. masses --      1.0584                 2.4131                 3.3931
 Frc consts  --      1.4151                 3.3079                 4.7884
 IR Inten    --     49.2528                22.1455                80.4512
 RamAct Fr= 1--     17.7987               129.7764                17.7461
  Dep-P Fr= 1--      0.4615                 0.2740                 0.1597
  Dep-U Fr= 1--      0.6315                 0.4301                 0.2754
 Alpha2 Fr= 1--      0.1041                 1.4368                 0.2677
 Beta2  Fr= 1--      1.8734                 9.3030                 0.8145
 AlphaG Fr= 1--     -0.0064                -0.1148                -0.2045
 Gamma2 Fr= 1--      0.3420                -3.5334                -1.3375
 Delta2 Fr= 1--      0.6039                 0.6905                 0.5166
 Raman1 Fr= 1--      71.195                519.106                 70.984
 ROA1   Fr= 1--      52.152               -317.106               -111.870
 CID1   Fr= 1--       0.733                 -0.611                 -1.576
 Raman2 Fr= 1--      22.481                111.636                  9.774
 ROA2   Fr= 1--       3.376                -90.325                -36.233
 CID2   Fr= 1--       0.150                 -0.809                 -3.707
 Raman3 Fr= 1--      44.962                223.271                 19.549
 ROA3   Fr= 1--      52.152               -317.106               -111.870
 CID3   Fr= 1--       1.160                 -1.420                 -5.723
 RC180  Fr= 1--       0.263                 -0.140                 -0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.07  -0.01  -0.00    -0.15  -0.03  -0.01
     2   6     0.00   0.00  -0.00     0.14   0.02   0.01    -0.11  -0.04  -0.00
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03  -0.00     0.02  -0.07   0.01
     4   6     0.01  -0.01   0.00     0.13  -0.05   0.02     0.03   0.17  -0.02
     5   6    -0.00   0.01  -0.00    -0.05   0.12  -0.02     0.03  -0.13   0.02
     6   6    -0.01  -0.01  -0.00    -0.13  -0.07  -0.00     0.08   0.08  -0.00
     7   6     0.01  -0.00   0.00     0.07   0.04   0.00     0.16   0.10   0.00
     8   1     0.02   0.00   0.00     0.25   0.04   0.02    -0.11  -0.11   0.00
     9   1     0.03  -0.02   0.01     0.37  -0.32   0.07    -0.21   0.13  -0.03
    10   1     0.04   0.00   0.00     0.45   0.05   0.03    -0.27   0.00  -0.02
    11   6    -0.00   0.00  -0.00    -0.03   0.01  -0.01    -0.02  -0.02   0.00
    12   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.03   0.02   0.01     0.19  -0.01   0.00
    15   1    -0.00  -0.01   0.02    -0.01   0.02   0.10     0.01   0.02  -0.02
    16   1     0.01  -0.02   0.00     0.07  -0.11   0.01    -0.03   0.01  -0.01
    17   1    -0.00  -0.00  -0.01     0.04  -0.00  -0.09     0.02   0.00   0.02
    18   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.00  -0.01
    21   6    -0.00  -0.00   0.00     0.04  -0.06   0.01     0.03  -0.16   0.02
    22   6    -0.02   0.01  -0.00    -0.14  -0.01  -0.01    -0.07   0.17  -0.02
    23   6     0.01   0.00   0.00     0.03   0.05  -0.00     0.10  -0.04   0.01
    24   8     0.02  -0.01   0.00     0.05   0.01   0.00     0.03  -0.02   0.00
    25   6     0.03  -0.04   0.01     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1    -0.01  -0.01  -0.00    -0.25  -0.03  -0.02    -0.49  -0.04  -0.04
    27   1     0.01  -0.01   0.00    -0.24   0.24  -0.05    -0.37   0.24  -0.06
    28   1    -0.04  -0.01  -0.00    -0.13   0.02  -0.01    -0.29  -0.13  -0.01
    29   1    -0.18   0.54   0.30    -0.12  -0.17  -0.11    -0.08  -0.06  -0.05
    30   1    -0.11   0.46  -0.43    -0.14  -0.15   0.12    -0.09  -0.05   0.05
    31   1    -0.19  -0.34   0.02    -0.06  -0.11   0.01    -0.08  -0.12   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1608.9863              1653.8932              1676.7377
 Red. masses --      6.8811                 5.7627                 6.3546
 Frc consts  --     10.4958                 9.2874                10.5261
 IR Inten    --      7.1814               114.6351                58.0228
 RamAct Fr= 1--     67.8924                 2.0555               296.6663
  Dep-P Fr= 1--      0.5133                 0.3215                 0.3662
  Dep-U Fr= 1--      0.6783                 0.4865                 0.5361
 Alpha2 Fr= 1--      0.3147                 0.0197                 2.4690
 Beta2  Fr= 1--      7.6757                 0.1667                26.5086
 AlphaG Fr= 1--     -0.2431                 0.0194                -0.7833
 Gamma2 Fr= 1--      0.3907                 0.6229                -6.8464
 Delta2 Fr= 1--      0.5648                 1.0719                 0.7182
 Raman1 Fr= 1--     271.569                  8.222               1186.665
 ROA1   Fr= 1--      55.581                 94.100               -634.275
 CID1   Fr= 1--       0.205                 11.445                 -0.535
 Raman2 Fr= 1--      92.109                  2.000                318.103
 ROA2   Fr= 1--       4.858                  6.374               -170.061
 CID2   Fr= 1--       0.053                  3.187                 -0.535
 Raman3 Fr= 1--     184.217                  4.000                636.206
 ROA3   Fr= 1--      55.581                 94.100               -634.275
 CID3   Fr= 1--       0.302                 23.523                 -0.997
 RC180  Fr= 1--       0.357                 -0.027                  0.072
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.28  -0.03    -0.00   0.04  -0.00     0.26   0.05   0.02
     2   6     0.05  -0.28   0.03    -0.03  -0.01  -0.00    -0.25  -0.03  -0.02
     3   6    -0.14  -0.16   0.01     0.21   0.08   0.01    -0.24  -0.07  -0.01
     4   6     0.09   0.22  -0.02    -0.21  -0.07  -0.01     0.16   0.07   0.01
     5   6     0.15  -0.17   0.03     0.22  -0.09   0.03    -0.17   0.06  -0.02
     6   6    -0.13   0.10  -0.02    -0.22   0.03  -0.02     0.24   0.01   0.02
     7   6     0.12  -0.12   0.02    -0.22   0.00  -0.02    -0.24  -0.03  -0.02
     8   1     0.33  -0.05   0.03    -0.29  -0.01  -0.02     0.34   0.05   0.02
     9   1    -0.15   0.17  -0.03    -0.16   0.34  -0.05     0.09  -0.23   0.03
    10   1     0.16   0.18  -0.01     0.18   0.14  -0.00    -0.28  -0.12  -0.01
    11   6    -0.03  -0.02  -0.00     0.04   0.01   0.00    -0.02  -0.01  -0.00
    12   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.00
    14   1     0.16  -0.01   0.00    -0.09   0.00  -0.01     0.06  -0.01   0.01
    15   1     0.00   0.02  -0.01    -0.00  -0.01  -0.02    -0.00   0.01   0.01
    16   1    -0.01  -0.00  -0.00    -0.01   0.01  -0.00     0.01  -0.00   0.00
    17   1     0.02   0.00   0.01    -0.01   0.00   0.00     0.01  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.00  -0.01     0.01   0.00   0.02    -0.01  -0.01  -0.03
    21   6    -0.17   0.21  -0.04     0.20  -0.06   0.02     0.15  -0.03   0.02
    22   6    -0.04  -0.24   0.02    -0.22  -0.11  -0.01    -0.14  -0.08  -0.00
    23   6     0.07   0.15  -0.01     0.23   0.10   0.01     0.23   0.06   0.01
    24   8    -0.00   0.02  -0.00     0.03   0.01   0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00   0.00     0.02   0.00   0.00
    26   1    -0.11  -0.18   0.01     0.21   0.11   0.01     0.30   0.09   0.01
    27   1     0.24  -0.23   0.04    -0.12   0.30  -0.04    -0.04   0.18  -0.02
    28   1    -0.21   0.09  -0.03    -0.32  -0.02  -0.02    -0.30  -0.06  -0.02
    29   1    -0.01   0.01   0.01    -0.06  -0.05  -0.04    -0.05  -0.04  -0.03
    30   1    -0.00   0.01  -0.02    -0.07  -0.05   0.04    -0.05  -0.03   0.03
    31   1     0.04   0.03   0.00     0.00  -0.03   0.00     0.00  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0761              3010.6353              3015.2783
 Red. masses --     10.3642                 1.0347                 1.0817
 Frc consts  --     20.6307                 5.5256                 5.7943
 IR Inten    --    430.3463                65.9884                 9.8324
 RamAct Fr= 1--     26.1087               224.4061                67.2351
  Dep-P Fr= 1--      0.2837                 0.0369                 0.1499
  Dep-U Fr= 1--      0.4420                 0.0712                 0.2607
 Alpha2 Fr= 1--      0.2810                 4.5726                 1.0397
 Beta2  Fr= 1--      1.9232                 2.6625                 2.9211
 AlphaG Fr= 1--     -0.8029                -0.2236                 0.2979
 Gamma2 Fr= 1--     -4.2212                -0.5758                -0.6593
 Delta2 Fr= 1--     -0.4580                 0.4383                -0.0599
 Raman1 Fr= 1--     104.435                897.625                268.941
 ROA1   Fr= 1--    -419.890                -41.255                -65.212
 CID1   Fr= 1--      -4.021                 -0.046                 -0.242
 Raman2 Fr= 1--      23.078                 31.950                 35.053
 ROA2   Fr= 1--     -97.644                -17.326                -15.345
 CID2   Fr= 1--      -4.231                 -0.542                 -0.438
 Raman3 Fr= 1--      46.156                 63.901                 70.107
 ROA3   Fr= 1--    -419.890                -41.255                -65.212
 CID3   Fr= 1--      -9.097                 -0.646                 -0.930
 RC180  Fr= 1--      -0.116                 -0.858                 -0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.01   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.08   0.01
    12   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    13   6     0.70   0.23  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.03   0.01   0.06    -0.00   0.02  -0.00    -0.01   0.99  -0.10
    15   1     0.03   0.02  -0.05    -0.00   0.00  -0.00     0.02  -0.00  -0.00
    16   1    -0.08  -0.05  -0.07     0.00   0.00  -0.00    -0.02  -0.01   0.02
    17   1     0.02   0.01  -0.04    -0.00  -0.00   0.00     0.00  -0.08   0.01
    18   8    -0.44  -0.14   0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.06  -0.05  -0.44     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.00    -0.00  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00     0.02   0.01  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.03  -0.32   0.60     0.00   0.01  -0.01
    30   1     0.00   0.00  -0.00     0.06  -0.43  -0.51    -0.00   0.01   0.01
    31   1    -0.00  -0.00  -0.00    -0.24   0.16  -0.04     0.00  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.3508              3067.6207              3117.4061
 Red. masses --      1.0350                 1.1060                 1.1025
 Frc consts  --      5.6852                 6.1320                 6.3128
 IR Inten    --     16.6128                34.6576                15.5347
 RamAct Fr= 1--    179.3500                65.5788                36.0253
  Dep-P Fr= 1--      0.0215                 0.7500                 0.7448
  Dep-U Fr= 1--      0.0421                 0.8571                 0.8538
 Alpha2 Fr= 1--      3.7897                 0.0000                 0.0032
 Beta2  Fr= 1--      1.2590                 9.3681                 5.1262
 AlphaG Fr= 1--      0.1990                -0.0218                 0.0159
 Gamma2 Fr= 1--      1.4760                -0.7892                -2.4005
 Delta2 Fr= 1--      4.0093                -0.9052                 1.6596
 Raman1 Fr= 1--     717.400                262.315                144.101
 ROA1   Fr= 1--     269.991               -104.724               -177.341
 CID1   Fr= 1--       0.376                 -0.399                 -1.231
 Raman2 Fr= 1--      15.109                112.417                 61.514
 ROA2   Fr= 1--       3.348                -11.698                -70.889
 CID2   Fr= 1--       0.222                 -0.104                 -1.152
 Raman3 Fr= 1--      30.217                224.834                123.028
 ROA3   Fr= 1--     269.991               -104.724               -177.341
 CID3   Fr= 1--       8.935                 -0.466                 -1.441
 RC180  Fr= 1--      -0.916                  0.714                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     9   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00    -0.03  -0.03   0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00    -0.03  -0.07   0.05
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.08  -0.01
    15   1     0.45  -0.16   0.03     0.00  -0.00   0.00    -0.01  -0.02   0.01
    16   1    -0.33  -0.18   0.53    -0.00  -0.00   0.00     0.34   0.17  -0.55
    17   1     0.01   0.59  -0.05     0.00   0.00  -0.00     0.00   0.73  -0.04
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.01  -0.09    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.35   0.61     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.07   0.47   0.52     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.2042              3137.6458              3153.2692
 Red. masses --      1.1020                 1.0990                 1.0896
 Frc consts  --      6.3697                 6.3744                 6.3832
 IR Inten    --     16.3975                22.9521                10.0941
 RamAct Fr= 1--    151.2999               177.0575                58.0890
  Dep-P Fr= 1--      0.5069                 0.4239                 0.2589
  Dep-U Fr= 1--      0.6728                 0.5954                 0.4114
 Alpha2 Fr= 1--      0.7232                 1.2013                 0.6713
 Beta2  Fr= 1--     16.9649                17.5712                 3.9827
 AlphaG Fr= 1--      0.0665                 0.0420                 0.0923
 Gamma2 Fr= 1--      1.1520                -0.0977                 1.1862
 Delta2 Fr= 1--     -7.2680                 0.3059                -0.3303
 Raman1 Fr= 1--     605.200                708.230                232.356
 ROA1   Fr= 1--    -121.983                  0.411                103.308
 CID1   Fr= 1--      -0.202                  0.001                  0.445
 Raman2 Fr= 1--     203.578                210.854                 47.792
 ROA2   Fr= 1--      85.792                 -4.792                 31.112
 CID2   Fr= 1--       0.421                 -0.023                  0.651
 Raman3 Fr= 1--     407.157                421.709                 95.584
 ROA3   Fr= 1--    -121.983                  0.411                103.308
 CID3   Fr= 1--      -0.300                  0.001                  1.081
 RC180  Fr= 1--       0.346                  0.191                 -0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.08   0.01
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   1    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.21   0.96  -0.13
     9   1     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.08   0.04   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.00  -0.03   0.00     0.00   0.00  -0.00    -0.00   0.02  -0.00
    15   1     0.83  -0.28   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    16   1     0.17   0.10  -0.29    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.02  -0.31   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06  -0.01    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.09   0.01
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.01  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.08   0.17     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.01  -0.11  -0.15    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.79  -0.53   0.12     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3168.1672              3171.5869              3184.7926
 Red. masses --      1.0863                 1.0891                 1.0946
 Frc consts  --      6.4244                 6.4544                 6.5415
 IR Inten    --      2.6340                 9.2922                 8.8359
 RamAct Fr= 1--     54.2728                81.9495               107.4607
  Dep-P Fr= 1--      0.7450                 0.3976                 0.2067
  Dep-U Fr= 1--      0.8539                 0.5689                 0.3425
 Alpha2 Fr= 1--      0.0046                 0.6123                 1.4337
 Beta2  Fr= 1--      7.7235                 7.7706                 6.1349
 AlphaG Fr= 1--     -0.0148                -0.0264                -0.2840
 Gamma2 Fr= 1--      0.0726                -0.9336                 0.9699
 Delta2 Fr= 1--     -1.1253                -0.0989                 2.2597
 Raman1 Fr= 1--     217.091                327.798                429.843
 ROA1   Fr= 1--     -29.043                -92.791                165.416
 CID1   Fr= 1--      -0.134                 -0.283                  0.385
 Raman2 Fr= 1--      92.682                 93.248                 73.619
 ROA2   Fr= 1--      10.744                -21.615                  5.199
 CID2   Fr= 1--       0.116                 -0.232                  0.071
 Raman3 Fr= 1--     185.364                186.496                147.238
 ROA3   Fr= 1--     -29.043                -92.791                165.416
 CID3   Fr= 1--      -0.157                 -0.498                  1.123
 RC180  Fr= 1--       0.708                  0.138                 -0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.04   0.04  -0.00    -0.00  -0.00  -0.00    -0.05  -0.04   0.00
     6   6     0.01  -0.06   0.01     0.00   0.00  -0.00     0.02  -0.06   0.01
     7   6     0.00  -0.00   0.00     0.02  -0.08   0.01     0.00  -0.00   0.00
     8   1     0.00  -0.02   0.00    -0.02   0.09  -0.01     0.00  -0.02   0.00
     9   1    -0.50  -0.47   0.01     0.01   0.01  -0.00     0.51   0.47  -0.01
    10   1    -0.15   0.70  -0.09     0.00  -0.01   0.00    -0.14   0.63  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
    17   1    -0.00  -0.04   0.00     0.00   0.00  -0.00     0.00   0.03  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.01   0.02  -0.00    -0.21   0.94  -0.12    -0.00   0.01  -0.00
    27   1    -0.00  -0.00   0.00    -0.13  -0.13   0.00     0.00   0.00  -0.00
    28   1     0.01  -0.05   0.01    -0.01   0.05  -0.01     0.06  -0.28   0.03
    29   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9315              3215.8617              3706.0682
 Red. masses --      1.0906                 1.0912                 1.0652
 Frc consts  --      6.5346                 6.6488                 8.6202
 IR Inten    --      6.1071                 6.8297               137.0503
 RamAct Fr= 1--    167.6244               148.2720               126.1251
  Dep-P Fr= 1--      0.2057                 0.2331                 0.2356
  Dep-U Fr= 1--      0.3412                 0.3781                 0.3813
 Alpha2 Fr= 1--      2.2421                 1.8414                 1.5559
 Beta2  Fr= 1--      9.5330                 9.3443                 8.0158
 AlphaG Fr= 1--     -0.0555                -0.0814                -2.5174
 Gamma2 Fr= 1--      0.2099                -0.7954               -23.9007
 Delta2 Fr= 1--      1.0751                -0.4523                -3.2427
 Raman1 Fr= 1--     670.498                593.088                504.500
 ROA1   Fr= 1--      54.558                -90.832              -2398.239
 CID1   Fr= 1--       0.081                 -0.153                 -4.754
 Raman2 Fr= 1--     114.396                112.132                 96.190
 ROA2   Fr= 1--      -3.562                -15.471               -547.676
 CID2   Fr= 1--      -0.031                 -0.138                 -5.694
 Raman3 Fr= 1--     228.792                224.264                192.380
 ROA3   Fr= 1--      54.558                -90.832              -2398.239
 CID3   Fr= 1--       0.238                 -0.405                -12.466
 RC180  Fr= 1--      -0.318                 -0.244                 -0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00   0.00   0.00
     8   1     0.00  -0.01   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
     9   1     0.12   0.11  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.05   0.23  -0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    17   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.01   0.01
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.96   0.21  -0.16
    21   6    -0.00   0.00  -0.00    -0.06  -0.06   0.00    -0.00   0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6     0.02  -0.08   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.01    -0.04   0.18  -0.02    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.71   0.67  -0.01     0.00   0.00   0.00
    28   1    -0.22   0.92  -0.12    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1185.959109179.664469369.68965
           X            0.99992   0.00546   0.01120
           Y           -0.00526   0.99984  -0.01704
           Z           -0.01129   0.01698   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07303     0.00944     0.00924
 Rotational constants (GHZ):           1.52176     0.19660     0.19261
 Zero-point vibrational energy     657707.9 (Joules/Mol)
                                  157.19597 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     39.84    60.54    72.38   107.20   179.97
          (Kelvin)            201.53   263.24   298.08   302.44   337.36
                              350.93   399.18   443.07   500.58   571.37
                              600.96   653.72   699.32   711.20   737.14
                              774.84   816.67   841.61   862.92   916.71
                              985.39  1003.11  1076.12  1120.80  1137.42
                             1167.55  1179.46  1199.07  1235.93  1292.72
                             1310.10  1349.19  1364.40  1407.58  1411.96
                             1454.92  1539.21  1565.82  1588.22  1677.56
                             1687.03  1693.91  1704.81  1710.79  1727.67
                             1746.63  1841.80  1847.69  1865.01  1880.13
                             1885.36  1928.73  1989.95  2017.46  2037.56
                             2043.35  2096.04  2129.49  2146.74  2152.52
                             2155.23  2167.34  2194.62  2226.72  2314.97
                             2379.58  2412.45  2644.58  4331.63  4338.31
                             4393.09  4413.62  4485.25  4506.54  4514.37
                             4536.85  4558.29  4563.21  4582.21  4588.16
                             4626.91  5332.21
 
 Zero-point correction=                           0.250508 (Hartree/Particle)
 Thermal correction to Energy=                    0.265772
 Thermal correction to Enthalpy=                  0.266717
 Thermal correction to Gibbs Free Energy=         0.206904
 Sum of electronic and zero-point Energies=           -767.720606
 Sum of electronic and thermal Energies=              -767.705341
 Sum of electronic and thermal Enthalpies=            -767.704397
 Sum of electronic and thermal Free Energies=         -767.764209
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.775             58.746            125.886
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.989
 Vibrational            164.997             52.785             50.695
 Vibration     1          0.593              1.984              5.988
 Vibration     2          0.595              1.980              5.159
 Vibration     3          0.595              1.977              4.805
 Vibration     4          0.599              1.966              4.030
 Vibration     5          0.610              1.928              3.020
 Vibration     6          0.615              1.913              2.803
 Vibration     7          0.630              1.863              2.298
 Vibration     8          0.641              1.830              2.068
 Vibration     9          0.642              1.825              2.042
 Vibration    10          0.654              1.788              1.844
 Vibration    11          0.659              1.773              1.774
 Vibration    12          0.678              1.715              1.549
 Vibration    13          0.698              1.659              1.373
 Vibration    14          0.726              1.579              1.176
 Vibration    15          0.764              1.476              0.973
 Vibration    16          0.781              1.432              0.900
 Vibration    17          0.813              1.351              0.783
 Vibration    18          0.842              1.281              0.694
 Vibration    19          0.850              1.263              0.672
 Vibration    20          0.867              1.223              0.628
 Vibration    21          0.894              1.165              0.568
 Vibration    22          0.924              1.101              0.509
 Vibration    23          0.942              1.064              0.476
 Vibration    24          0.958              1.032              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.677139D-95        -95.169322       -219.135462
 Total V=0       0.113797D+21         20.056130         46.180945
 Vib (Bot)       0.136524-109       -109.864791       -252.973030
 Vib (Bot)    1  0.747798D+01          0.873784          2.011963
 Vib (Bot)    2  0.491640D+01          0.691648          1.592577
 Vib (Bot)    3  0.410895D+01          0.613730          1.413167
 Vib (Bot)    4  0.276620D+01          0.441884          1.017475
 Vib (Bot)    5  0.163177D+01          0.212660          0.489667
 Vib (Bot)    6  0.145167D+01          0.161867          0.372711
 Vib (Bot)    7  0.109665D+01          0.040070          0.092264
 Vib (Bot)    8  0.959754D+00         -0.017840         -0.041079
 Vib (Bot)    9  0.944777D+00         -0.024671         -0.056806
 Vib (Bot)   10  0.838335D+00         -0.076582         -0.176338
 Vib (Bot)   11  0.802470D+00         -0.095571         -0.220061
 Vib (Bot)   12  0.693899D+00         -0.158704         -0.365430
 Vib (Bot)   13  0.614771D+00         -0.211287         -0.486505
 Vib (Bot)   14  0.531006D+00         -0.274901         -0.632982
 Vib (Bot)   15  0.449761D+00         -0.347018         -0.799039
 Vib (Bot)   16  0.421126D+00         -0.375588         -0.864822
 Vib (Bot)   17  0.376090D+00         -0.424709         -0.977928
 Vib (Bot)   18  0.342301D+00         -0.465591         -1.072063
 Vib (Bot)   19  0.334163D+00         -0.476042         -1.096127
 Vib (Bot)   20  0.317258D+00         -0.498588         -1.148041
 Vib (Bot)   21  0.294600D+00         -0.530767         -1.222135
 Vib (Bot)   22  0.271782D+00         -0.565779         -1.302754
 Vib (Bot)   23  0.259215D+00         -0.586341         -1.350099
 Vib (Bot)   24  0.249026D+00         -0.603756         -1.390198
 Vib (V=0)       0.229435D+06          5.360661         12.343377
 Vib (V=0)    1  0.799468D+01          0.902801          2.078776
 Vib (V=0)    2  0.544176D+01          0.735740          1.694103
 Vib (V=0)    3  0.463926D+01          0.666448          1.534554
 Vib (V=0)    4  0.331103D+01          0.519963          1.197258
 Vib (V=0)    5  0.220666D+01          0.343735          0.791479
 Vib (V=0)    6  0.203536D+01          0.308641          0.710673
 Vib (V=0)    7  0.170526D+01          0.231790          0.533717
 Vib (V=0)    8  0.158219D+01          0.199258          0.458808
 Vib (V=0)    9  0.156893D+01          0.195603          0.450392
 Vib (V=0)   10  0.147612D+01          0.169121          0.389415
 Vib (V=0)   11  0.144549D+01          0.160016          0.368451
 Vib (V=0)   12  0.135527D+01          0.132027          0.304004
 Vib (V=0)   13  0.129243D+01          0.111407          0.256523
 Vib (V=0)   14  0.122936D+01          0.089679          0.206494
 Vib (V=0)   15  0.117252D+01          0.069121          0.159156
 Vib (V=0)   16  0.115372D+01          0.062100          0.142990
 Vib (V=0)   17  0.112565D+01          0.051405          0.118365
 Vib (V=0)   18  0.110595D+01          0.043734          0.100701
 Vib (V=0)   19  0.110139D+01          0.041939          0.096569
 Vib (V=0)   20  0.109216D+01          0.038286          0.088157
 Vib (V=0)   21  0.108034D+01          0.033559          0.077272
 Vib (V=0)   22  0.106909D+01          0.029015          0.066810
 Vib (V=0)   23  0.106320D+01          0.026614          0.061282
 Vib (V=0)   24  0.105858D+01          0.024725          0.056930
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.361540D+07          6.558156         15.100713
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3          3333333333333                              111111111111111111111111111111111                                        
      7          2111111110000                              866655544444444333322222111111000999998888877766665555444433322222111    
      0          1887653316511                              3750420999852108410988108877608718743195321974983086319851940743108427542
      6          6952838278351                              8749856862070623107640419573648011888189301198757058924648788744073055028
 
      X          XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
      X                   X  X                              XXX X X         XXX  X  XXX    X                  X                      
      X                      X                              XXX X           XXX       X    X                  X                      
      X                                                     X X X           XXX                                                      
      X                                                     X X             XXX                                                      
      X                                                     X               XXX                                                      
                                                            X                XX                                                      
                                                            X                XX                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000357    0.000002268   -0.000000024
      2        6           0.000000958    0.000000033   -0.000000179
      3        6           0.000000743    0.000001229    0.000000793
      4        6          -0.000000182   -0.000006096    0.000001894
      5        6           0.000000037    0.000003236   -0.000000659
      6        6           0.000001150    0.000000128   -0.000000464
      7        6          -0.000001118   -0.000000544    0.000001368
      8        1          -0.000000469   -0.000000381    0.000000168
      9        1           0.000000477   -0.000001067    0.000000353
     10        1           0.000000568   -0.000000993   -0.000000839
     11        6          -0.000002177    0.000000170   -0.000010608
     12        6          -0.000002074    0.000002703    0.000003927
     13        6           0.000004692    0.000001380    0.000016910
     14        1           0.000001650   -0.000001079    0.000001084
     15        1          -0.000000011   -0.000001231    0.000001029
     16        1           0.000000156   -0.000000097   -0.000000240
     17        1           0.000001312   -0.000000156   -0.000000323
     18        8          -0.000004776   -0.000003094   -0.000001512
     19        8          -0.000002928   -0.000003063   -0.000009739
     20        1           0.000001096    0.000000087    0.000001754
     21        6           0.000001706   -0.000000947    0.000000705
     22        6          -0.000001250    0.000001189   -0.000002346
     23        6           0.000000458   -0.000000928   -0.000000303
     24        8           0.000002398    0.000002614    0.000001941
     25        6          -0.000004462   -0.000001212   -0.000001627
     26        1           0.000000005    0.000000584   -0.000000195
     27        1           0.000001585    0.000001369   -0.000000246
     28        1           0.000000682   -0.000000217   -0.000000979
     29        1          -0.000000366    0.000001878   -0.000000565
     30        1           0.000000161    0.000001186   -0.000000153
     31        1           0.000000339    0.000001054   -0.000000924
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016910 RMS     0.000002846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.303944D+03  0.140431D+02  0.116225D+02
      2   0.140431D+02  0.166421D+03 -0.379353D+01
      3   0.116225D+02 -0.379353D+01  0.119136D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.790477D+01  0.268247D+02  0.613230D+01
      2  -0.459825D+02  0.983082D+01  0.267891D+02
      3   0.897791D+01  0.570942D+02 -0.705492D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.332165D+03 -0.753108D+01 -0.470584D+02
      2   0.134771D+03  0.143353D+02 -0.609553D+01
      3   0.197394D+03 -0.680423D+01  0.531539D+02
      4  -0.145446D+02 -0.137936D+03  0.215654D+02
      5   0.312265D+02  0.204490D+02  0.639846D+02
      6   0.514057D+01  0.446621D+02 -0.234525D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.383610D+02  0.767942D+01  0.166423D+01 -0.485906D+02 -0.491576D+01
      2   0.767942D+01  0.350816D+01  0.239207D+00 -0.491576D+01 -0.579802D+01
      3   0.166423D+01  0.239207D+00 -0.394113D+00 -0.276319D+01  0.173783D+00
                 6             7             8             9            10 
      1  -0.276319D+01  0.775526D+01  0.123432D+01  0.177750D+01 -0.294226D+02
      2   0.173783D+00  0.123432D+01  0.648157D+00 -0.938062D+00 -0.528998D+01
      3  -0.114676D+00  0.177750D+01 -0.938062D+00  0.411522D+00 -0.120205D+01
                11            12            13            14            15 
      1  -0.528998D+01 -0.120205D+01  0.527255D+02  0.608535D+01  0.307399D+01
      2  -0.748984D+00 -0.244969D+00  0.608535D+01  0.672406D+01 -0.104002D+00
      3  -0.244969D+00 -0.219104D+00  0.307399D+01 -0.104002D+00 -0.267643D-01
                16            17            18            19            20 
      1  -0.786985D+01 -0.117513D+01 -0.101721D+01 -0.500337D+02 -0.978838D+01
      2  -0.117513D+01 -0.581638D+00  0.921674D+00 -0.978838D+01 -0.944885D+01
      3  -0.101721D+01  0.921674D+00 -0.195280D+00 -0.167732D+01  0.394266D+00
                21            22            23            24            25 
      1  -0.167732D+01 -0.142035D+02 -0.182673D+01  0.139926D+00 -0.235954D+01
      2   0.394266D+00 -0.182673D+01 -0.436594D+01 -0.575940D+00  0.291558D+00
      3  -0.569787D+00  0.139926D+00 -0.575940D+00 -0.209329D+01  0.472972D+00
                26            27            28            29            30 
      1   0.291558D+00  0.472972D+00  0.468758D+02  0.405831D+01  0.138661D+01
      2  -0.117122D+01 -0.365255D+01  0.405831D+01  0.565476D+01  0.753024D-01
      3  -0.365255D+01  0.118806D+01  0.138661D+01  0.753024D-01  0.234834D+01
                31            32            33            34            35 
      1   0.362533D+01  0.342680D+01  0.585175D+00  0.820539D+00  0.629042D+00
      2   0.342680D+01  0.143607D+02 -0.696837D+00  0.629042D+00 -0.321844D+00
      3   0.585175D+00 -0.696837D+00  0.339097D+00  0.613681D+01  0.774857D+00
                36            37            38            39            40 
      1   0.613681D+01  0.991778D+01 -0.162608D+01  0.367602D+00  0.609134D+01
      2   0.774857D+00 -0.162608D+01  0.113413D+02 -0.937594D+00  0.832537D+00
      3   0.668313D+00  0.367602D+00 -0.937594D+00  0.201943D+01  0.439563D+00
                41            42            43            44            45 
      1   0.832537D+00  0.439563D+00  0.260087D+00  0.216235D+00  0.451223D+01
      2  -0.919343D+01  0.113132D+01  0.216235D+00  0.233189D+01  0.152325D+01
      3   0.113132D+01  0.945909D+00  0.451223D+01  0.152325D+01  0.685461D+00
                46            47            48            49            50 
      1  -0.146111D+02  0.225635D+01 -0.132065D+01  0.106624D+01  0.196553D+01
      2   0.225635D+01 -0.826610D+01  0.226247D+00  0.196553D+01  0.172087D+00
      3  -0.132065D+01  0.226247D+00 -0.123803D+01 -0.308900D+00  0.802055D+00
                51            52            53            54            55 
      1  -0.308900D+00 -0.128159D+01 -0.644908D+00 -0.929828D+00  0.384705D+01
      2   0.802055D+00 -0.644908D+00  0.171786D+00  0.405046D+01 -0.362864D+01
      3   0.155231D+01 -0.929828D+00  0.405046D+01 -0.120939D+01  0.615199D+00
                56            57            58            59            60 
      1  -0.362864D+01  0.615199D+00 -0.268699D+01 -0.349326D+01  0.332578D+00
      2   0.583109D+01 -0.465893D+00 -0.349326D+01 -0.168781D+01 -0.662336D+00
      3  -0.465893D+00  0.172490D+01  0.332578D+00 -0.662336D+00 -0.149247D+01
                61            62            63            64            65 
      1   0.697793D+00  0.438424D+00 -0.206978D+00  0.545510D+00 -0.201873D+01
      2   0.438424D+00 -0.132607D+00 -0.388316D+01 -0.201873D+01  0.992488D+00
      3  -0.206978D+00 -0.388316D+01  0.120131D+01  0.298775D+00 -0.284083D+00
                66            67            68            69            70 
      1   0.298775D+00 -0.210520D+01  0.259090D+01 -0.436454D+00  0.399270D+00
      2  -0.284083D+00  0.259090D+01 -0.772485D+01  0.106430D+01 -0.554010D+00
      3   0.165721D+00 -0.436454D+00  0.106430D+01 -0.102716D+01  0.538450D-01
                71            72            73            74            75 
      1  -0.554010D+00  0.538450D-01  0.740787D+01  0.315491D+01  0.377170D+00
      2   0.984741D+00 -0.312366D+00  0.315491D+01  0.278004D+01 -0.249554D-01
      3  -0.312366D+00  0.246156D+00  0.377170D+00 -0.249554D-01  0.693415D+00
                76            77            78            79            80 
      1   0.414695D+01  0.414017D+01 -0.134594D+00  0.332496D+00 -0.364198D+00
      2   0.414017D+01  0.426147D+01  0.168893D-01 -0.364198D+00 -0.236830D+00
      3  -0.134594D+00  0.168893D-01  0.644943D+00 -0.166729D+00  0.341482D+00
                81            82            83            84            85 
      1  -0.166729D+00 -0.747487D+00  0.140756D+01 -0.209986D+00  0.579696D+00
      2   0.341482D+00  0.140756D+01 -0.150210D+01  0.262392D+00 -0.657737D+00
      3  -0.126037D+00 -0.209986D+00  0.262392D+00 -0.187382D+00  0.465899D-01
                86            87            88            89            90 
      1  -0.657737D+00  0.465899D-01 -0.217450D+00  0.244176D+00  0.850426D-01
      2   0.107570D+02 -0.101241D+01  0.244176D+00 -0.124063D+01  0.385376D+00
      3  -0.101241D+01  0.106723D+01  0.850426D-01  0.385376D+00 -0.192105D+00
                91            92            93            94            95 
      1  -0.156126D+02 -0.189910D+01  0.106391D+00 -0.778421D+00 -0.254089D+00
      2  -0.189910D+01  0.381685D+00 -0.562404D+00 -0.254089D+00  0.498799D+01
      3   0.106391D+00 -0.562404D+00 -0.348536D+01 -0.193791D+01 -0.903494D+00
                96            97            98            99           100 
      1  -0.193791D+01 -0.581569D-01 -0.142394D+01 -0.752786D+01 -0.570866D+01
      2  -0.903494D+00 -0.142394D+01 -0.534732D+00 -0.965178D+00  0.276340D+01
      3  -0.930915D+00 -0.752786D+01 -0.965178D+00  0.381118D+00 -0.140892D+01
               101           102           103           104           105 
      1   0.276340D+01 -0.140892D+01  0.700692D+01 -0.162832D+00  0.166661D+01
      2  -0.543044D+00  0.285605D+00 -0.162832D+00 -0.473464D+01 -0.518076D-01
      3   0.285605D+00  0.367532D+01  0.166661D+01 -0.518076D-01  0.266707D+01
               106           107           108           109           110 
      1   0.393643D+01  0.104239D+01  0.530403D+01 -0.632953D+01 -0.140988D+01
      2   0.104239D+01  0.449249D+00  0.201849D+01 -0.140988D+01 -0.419457D+00
      3   0.530403D+01  0.201849D+01 -0.625960D+00 -0.750998D-01  0.336862D+00
               111           112           113           114           115 
      1  -0.750998D-01 -0.177150D+01 -0.174424D+00  0.108884D+01 -0.633344D+01
      2   0.336862D+00 -0.174424D+00 -0.990007D+00 -0.170231D+00  0.565416D+00
      3   0.903513D+00  0.108884D+01 -0.170231D+00  0.425438D+00  0.398931D+01
               116           117           118           119           120 
      1   0.565416D+00  0.398931D+01 -0.147554D+01 -0.114875D+01  0.714209D-01
      2  -0.770577D+00  0.258071D+00 -0.114875D+01  0.447032D+00 -0.355250D-01
      3   0.258071D+00 -0.110909D+01  0.714209D-01 -0.355250D-01  0.714622D+00
               121           122           123           124           125 
      1  -0.264744D+01  0.172577D+01 -0.364458D-01 -0.197132D+00 -0.773100D-01
      2   0.172577D+01 -0.668205D+01  0.798775D+00 -0.773100D-01  0.642525D+00
      3  -0.364458D-01  0.798775D+00 -0.152245D+01  0.116317D+01 -0.100795D+01
               126           127           128           129           130 
      1   0.116317D+01  0.137984D+02 -0.164176D+01  0.323055D+01 -0.361103D+01
      2  -0.100795D+01 -0.164176D+01  0.127099D+01 -0.251001D+00  0.174115D+01
      3   0.647312D+00  0.323055D+01 -0.251001D+00  0.198934D+01 -0.110455D+01
               131           132           133           134           135 
      1   0.174115D+01 -0.110455D+01  0.140675D+01 -0.356639D+00  0.134519D+01
      2  -0.527195D+00  0.426291D+00 -0.356639D+00 -0.268811D-01 -0.554188D+00
      3   0.426291D+00 -0.111136D+01  0.134519D+01 -0.554188D+00  0.666904D+00
               136           137           138           139           140 
      1  -0.776462D+00 -0.451343D+00  0.107145D+01 -0.116037D+01 -0.451234D-01
      2  -0.451343D+00 -0.477069D+00  0.167395D+00 -0.451234D-01 -0.181450D+00
      3   0.107145D+01  0.167395D+00 -0.320188D+01 -0.247517D+00  0.119295D+01
               141           142           143           144           145 
      1  -0.247517D+00  0.708267D+00 -0.747924D-01 -0.584106D+00  0.878847D+00
      2   0.119295D+01 -0.747924D-01  0.967423D+00 -0.910334D+00  0.925318D+00
      3  -0.186467D+01 -0.584106D+00 -0.910334D+00  0.758620D+01  0.294323D-01
               146           147           148           149           150 
      1   0.925318D+00  0.294323D-01  0.240646D+01  0.122849D+01  0.903442D+00
      2   0.446857D+00  0.832956D-01  0.122849D+01  0.644758D+01  0.113374D+01
      3   0.832956D-01 -0.379597D+00  0.903442D+00  0.113374D+01  0.170514D+01
               151           152           153           154           155 
      1  -0.648033D+00  0.171134D+00 -0.330766D+00  0.197990D+02  0.222310D+01
      2   0.171134D+00  0.702864D-01  0.736081D+00  0.222310D+01  0.185225D+01
      3  -0.330766D+00  0.736081D+00  0.212657D+00 -0.119446D+01 -0.130807D-01
               156           157           158           159           160 
      1  -0.119446D+01  0.447401D+01  0.402768D+01 -0.622447D+00 -0.219169D+01
      2  -0.130807D-01  0.402768D+01  0.212597D+01 -0.265265D+00 -0.437037D+00
      3   0.301133D+01 -0.622447D+00 -0.265265D+00  0.837056D+00  0.283867D+01
               161           162           163           164           165 
      1  -0.437037D+00  0.283867D+01  0.106471D+02  0.760434D-01 -0.367347D+01
      2   0.225366D+00  0.678866D+00  0.760434D-01 -0.967988D-03  0.400559D+00
      3   0.678866D+00 -0.606502D-01 -0.367347D+01  0.400559D+00  0.965941D+00
               166           167           168           169           170 
      1   0.211724D+01 -0.152932D+00 -0.302934D+00 -0.209369D+01  0.462090D+00
      2  -0.152932D+00 -0.725137D+00 -0.142981D+01  0.462090D+00 -0.596314D+00
      3  -0.302934D+00 -0.142981D+01 -0.115285D+00  0.680039D+00 -0.834034D+00
               171           172           173           174           175 
      1   0.680039D+00 -0.955858D+01 -0.616595D-01  0.183162D+01 -0.117224D+01
      2  -0.834034D+00 -0.616595D-01 -0.371828D+00 -0.552560D+00  0.132916D+00
      3  -0.701470D+01  0.183162D+01 -0.552560D+00 -0.246940D+01  0.109967D-01
               176           177           178           179           180 
      1   0.132916D+00  0.109967D-01  0.521457D+01 -0.442336D+00 -0.196646D+01
      2  -0.623415D+00 -0.658690D+00 -0.442336D+00 -0.845780D+00  0.380556D-01
      3  -0.658690D+00 -0.544325D+00 -0.196646D+01  0.380556D-01 -0.213738D+00
               181           182           183           184           185 
      1  -0.664953D+01  0.127229D+01 -0.111262D+00 -0.129726D+02 -0.150314D+01
      2   0.127229D+01 -0.922791D+01  0.116681D+01 -0.150314D+01  0.656922D+01
      3  -0.111262D+00  0.116681D+01 -0.229836D+01 -0.118648D+01 -0.130875D+01
               186           187           188           189           190 
      1  -0.118648D+01  0.153022D+01  0.155250D-01 -0.402706D+01 -0.427632D+02
      2  -0.130875D+01  0.155250D-01 -0.195754D+01 -0.209925D+01 -0.451740D+01
      3  -0.100805D+01 -0.402706D+01 -0.209925D+01 -0.149546D+00 -0.176718D+01
               191           192           193           194           195 
      1  -0.451740D+01 -0.176718D+01  0.744216D+00 -0.326782D+01 -0.234701D+00
      2  -0.976746D+01  0.415233D+00 -0.326782D+01 -0.121510D+02  0.126209D+01
      3   0.415233D+00 -0.312715D+01 -0.234701D+00  0.126209D+01  0.285263D+00
               196           197           198           199           200 
      1  -0.248300D+01 -0.744100D+00 -0.698463D+01  0.411283D+02  0.850014D+01
      2  -0.744100D+00  0.451592D+00 -0.448427D+00  0.850014D+01  0.775958D+01
      3  -0.698463D+01 -0.448427D+00 -0.128151D+01  0.180729D+01 -0.665255D+00
               201           202           203           204           205 
      1   0.180729D+01  0.149242D+02  0.269548D+01  0.647116D+00  0.171836D+01
      2  -0.665255D+00  0.269548D+01  0.499802D+01  0.338745D+00  0.665067D-01
      3   0.720920D+00  0.647116D+00  0.338745D+00  0.208684D+01  0.427863D+00
               206           207           208           209           210 
      1   0.665067D-01  0.427863D+00  0.126111D+02  0.344767D+01  0.565692D+00
      2   0.105890D+01  0.416275D+01  0.344767D+01  0.294694D+01 -0.903426D-01
      3   0.416275D+01 -0.983682D+00  0.565692D+00 -0.903426D-01 -0.221310D+00
               211           212           213           214           215 
      1  -0.333897D+01 -0.300156D+01  0.122876D+00  0.147653D+01  0.519147D+00
      2  -0.300156D+01  0.155992D+01 -0.434943D+00  0.519147D+00  0.217868D+00
      3   0.122876D+00 -0.434943D+00 -0.833061D+00 -0.103535D+00  0.756920D+00
               216           217           218           219           220 
      1  -0.103535D+00 -0.753385D+00 -0.394770D+01  0.797410D-01 -0.428973D+01
      2   0.756920D+00 -0.394770D+01 -0.231982D-01 -0.613516D+00  0.302880D+01
      3  -0.139924D+00  0.797410D-01 -0.613516D+00  0.957130D+00 -0.847606D+00
               221           222           223           224           225 
      1   0.302880D+01 -0.847606D+00  0.131937D+00 -0.767910D+00  0.262816D+01
      2   0.141654D+01  0.113764D+01 -0.767910D+00  0.786614D+00  0.410514D+01
      3   0.113764D+01  0.555626D+01  0.262816D+01  0.410514D+01 -0.111824D+01
               226           227           228           229           230 
      1   0.359233D+00 -0.136823D+01  0.172710D+00 -0.461799D+00  0.863954D-01
      2  -0.136823D+01  0.147120D+01 -0.276792D+00  0.863954D-01 -0.102346D+02
      3   0.172710D+00 -0.276792D+00  0.174817D+00  0.871623D-02  0.103736D+01
               231           232           233           234           235 
      1   0.871623D-02  0.742249D-01 -0.150821D+00 -0.545243D-01 -0.765921D+01
      2   0.103736D+01 -0.150821D+00  0.116656D+01 -0.341021D+00 -0.347626D+01
      3  -0.103297D+01 -0.545243D-01 -0.341021D+00  0.173120D+00 -0.220986D+00
               236           237           238           239           240 
      1  -0.347626D+01 -0.220986D+00 -0.521250D+01 -0.436037D+01  0.150042D+00
      2  -0.275856D+01  0.166486D-02 -0.436037D+01 -0.430559D+01  0.357452D-01
      3   0.166486D-02 -0.452760D+00  0.150042D+00  0.357452D-01 -0.624494D+00
               241           242           243           244           245 
      1  -0.149909D+00  0.227608D+00  0.332592D+00 -0.730506D+00  0.220269D+01
      2   0.227608D+00  0.177199D+00 -0.215978D+00  0.220269D+01 -0.160820D+01
      3   0.332592D+00 -0.215978D+00  0.134051D+00 -0.254873D+00  0.325062D+00
               246           247           248           249           250 
      1  -0.254873D+00  0.258190D+01 -0.319713D+01  0.424638D+00 -0.297726D+00
      2   0.325062D+00 -0.319713D+01  0.868707D+01 -0.101914D+01  0.507658D+00
      3  -0.287737D+00  0.424638D+00 -0.101914D+01  0.112269D+01 -0.335648D+00
               251           252           253           254           255 
      1   0.507658D+00 -0.335648D+00 -0.888395D+00 -0.448158D+00  0.172687D+01
      2  -0.104331D+01  0.323826D+00 -0.448158D+00 -0.115525D+00  0.467347D+00
      3   0.323826D+00 -0.216234D+00  0.172687D+01  0.467347D+00 -0.450301D+00
               256           257           258           259           260 
      1  -0.179951D+01 -0.186430D+01  0.126469D+01  0.506082D+01  0.150622D+01
      2  -0.186430D+01 -0.203006D+01  0.152771D+01  0.150622D+01  0.167797D+01
      3   0.126469D+01  0.152771D+01 -0.234729D+01 -0.306135D+01 -0.227282D+01
               261           262           263           264           265 
      1  -0.306135D+01  0.181862D+00 -0.442269D+00 -0.115028D+01 -0.230374D+01
      2  -0.227282D+01 -0.442269D+00  0.815734D-01 -0.136839D+00 -0.215394D+01
      3   0.526259D+01 -0.115028D+01 -0.136839D+00  0.808417D-01 -0.131829D+01
               266           267           268           269           270 
      1  -0.215394D+01 -0.131829D+01 -0.372888D+01 -0.130686D+01 -0.256654D+01
      2  -0.329106D+01 -0.239151D+01 -0.130686D+01 -0.221218D+01 -0.273807D+01
      3  -0.239151D+01 -0.300280D+01 -0.256654D+01 -0.273807D+01 -0.441387D+01
               271           272           273           274           275 
      1  -0.126384D+02  0.319715D+01 -0.113619D+01  0.661603D+01 -0.267684D+01
      2   0.319715D+01 -0.148672D+01  0.307561D+00 -0.267684D+01  0.217864D+01
      3  -0.113619D+01  0.307561D+00 -0.116332D+01  0.576224D+00 -0.394239D+00
               276           277           278           279 
      1   0.576224D+00 -0.161347D+01  0.382544D+00 -0.188421D+01
      2  -0.394239D+00  0.382544D+00 -0.356021D+00  0.980860D-01
      3   0.456785D+00 -0.188421D+01  0.980860D-01 -0.414813D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.127698D+01 -0.344914D+01 -0.604575D-01 -0.311079D+01 -0.194968D+01
      2  -0.971201D+01  0.337124D+01 -0.377571D+00  0.139708D+02  0.296363D+01
      3  -0.834358D+01  0.417994D+02 -0.493538D+01  0.421697D+02  0.204009D+02
                 6             7             8             9            10 
      1  -0.243390D+00  0.397319D+01  0.773976D+01 -0.576911D+00 -0.163748D+01
      2   0.469099D-03 -0.206150D+02 -0.163225D+01 -0.157851D+01  0.117097D+02
      3   0.317238D+00 -0.193504D+01  0.154092D+01 -0.226202D+01  0.166847D+02
                11            12            13            14            15 
      1  -0.484385D+01  0.783955D-01 -0.367077D+01  0.721341D+00  0.344936D+00
      2   0.662166D+01 -0.369404D+01 -0.832388D+01  0.724786D+00 -0.622900D+00
      3   0.516375D+02 -0.404194D+01  0.544689D+02  0.178178D+02  0.241033D+01
                16            17            18            19            20 
      1   0.237039D+01  0.673499D+01 -0.979008D+00 -0.241984D+01  0.528391D+00
      2  -0.180234D+02  0.199182D+00 -0.136837D+01  0.179801D+02 -0.729754D+00
      3  -0.191833D+01  0.314484D+01  0.997718D+00  0.234503D+02 -0.310038D+02
                21            22            23            24            25 
      1  -0.982063D+00  0.117093D+01 -0.194594D+01 -0.270385D+01  0.310787D+01
      2  -0.417790D+00  0.311866D+01  0.214906D+00 -0.186354D+01 -0.191551D+02
      3   0.482370D+01  0.934510D+01  0.246009D+01  0.576336D+00  0.215299D+01
                26            27            28            29            30 
      1  -0.653775D+00 -0.136375D+01 -0.154533D+01 -0.593245D+00  0.216637D+00
      2  -0.699535D+01  0.417788D+00 -0.143283D+02 -0.219273D+00  0.164083D+01
      3  -0.169629D+01  0.455604D+01 -0.323974D+00  0.588989D+01 -0.108943D+01
                31            32            33            34            35 
      1  -0.414229D+01  0.542102D+01  0.178487D+01  0.238078D+01  0.125872D+02
      2   0.211855D+01 -0.143737D+00  0.153741D+01 -0.129782D+02 -0.196867D+01
      3   0.269247D+02  0.833925D+01 -0.700194D+00 -0.276171D+00  0.624577D+00
                36            37            38            39            40 
      1  -0.975164D+00 -0.125209D+01  0.162844D+01 -0.456025D+01 -0.454838D+00
      2  -0.190942D+01  0.185424D+01  0.602064D+00  0.233474D+01 -0.513139D+01
      3  -0.252068D+01  0.290947D+02  0.335074D+01  0.375977D+00 -0.103176D+02
                41            42            43            44            45 
      1  -0.180484D+01 -0.886714D-01 -0.149152D+02  0.891080D+01 -0.229484D+01
      2   0.528980D+00  0.502007D+00 -0.803982D+01  0.604600D+01 -0.143478D+01
      3  -0.207580D+00  0.759022D+00  0.267829D+01  0.199912D+01  0.615733D+01
                46            47            48            49            50 
      1   0.373279D+01  0.152959D+01  0.393392D+01  0.203164D+01  0.914829D+00
      2  -0.223551D+01 -0.492564D+01  0.358872D+00 -0.317013D+01 -0.261408D+01
      3  -0.549758D+02 -0.365687D+02  0.903804D+00 -0.700488D+01 -0.210873D+02
                51            52            53            54            55 
      1  -0.295969D+01  0.629323D+01 -0.370633D+01  0.348276D+01  0.113819D+01
      2   0.838612D+00 -0.179867D+02  0.126672D+01 -0.177407D+01 -0.158600D+01
      3   0.662162D+00 -0.121569D+01 -0.204022D+01 -0.495816D+01 -0.307450D+02
                56            57            58            59            60 
      1   0.496149D+01  0.332219D+01 -0.274973D-01  0.972816D+00 -0.267479D+01
      2  -0.431920D+01 -0.442751D+01 -0.179431D+01 -0.584142D+00  0.377331D+01
      3  -0.353800D+02  0.330127D+01 -0.521528D+00 -0.228652D+02  0.830674D+00
                61            62            63            64            65 
      1   0.387694D+01 -0.363141D+01  0.140735D+01 -0.463099D+00 -0.140049D+00
      2  -0.213577D+02  0.602359D+01 -0.409118D+01  0.618664D-01  0.489057D+00
      3   0.995326D+00 -0.276089D+01 -0.920349D+01  0.464389D+00  0.583547D+00
                66            67            68            69            70 
      1   0.806122D+00  0.593546D+00 -0.199916D+01 -0.376717D+01  0.266980D+00
      2   0.127131D+00  0.914607D+00  0.151829D+00 -0.113326D+01 -0.143521D+01
      3   0.282234D-01  0.449801D+01  0.553429D+01 -0.652938D+00 -0.929832D-01
                71            72            73            74            75 
      1   0.250073D+01  0.442294D+00 -0.101014D+01  0.310667D+00 -0.302136D+01
      2   0.106939D+01 -0.305061D-01 -0.786249D+00 -0.725068D+00  0.241684D+01
      3  -0.504055D+00 -0.589201D+00  0.116033D+02  0.532797D-02  0.936830D+00
                76            77            78            79            80 
      1   0.135498D+01  0.823869D+00 -0.251031D+01  0.153963D+01  0.827784D+00
      2  -0.141466D+01 -0.893887D+00  0.246605D+01 -0.242588D+01  0.375122D+00
      3   0.174842D+01 -0.140968D+01 -0.312648D+00  0.246794D+01 -0.242449D+00
                81            82            83            84            85 
      1   0.138403D+00  0.756285D+00 -0.767897D+00  0.110579D+01 -0.319156D+00
      2  -0.330617D+00 -0.382155D+00  0.231451D-01  0.440064D+00  0.445279D+00
      3  -0.465476D+00 -0.441983D+01  0.222130D+01 -0.609980D+00  0.495911D+01
                86            87            88            89            90 
      1   0.248372D+01 -0.516994D+01 -0.128519D+01  0.172701D+01  0.320213D+00
      2  -0.391464D+00 -0.669610D+00 -0.383508D+00 -0.775638D+00  0.308967D+00
      3  -0.352588D+01  0.557945D+00 -0.123531D+01  0.120326D+01  0.903761D+00
                91            92            93            94            95 
      1  -0.195194D+01 -0.365636D+00 -0.119829D+01 -0.234952D+01  0.246510D+01
      2   0.114712D+02 -0.680434D+00 -0.809943D+01 -0.448605D+01 -0.299974D+01
      3   0.677677D+01 -0.567179D+01  0.162181D+01  0.926015D+01 -0.224596D+02
                96            97            98            99           100 
      1  -0.305888D+01 -0.461753D+01  0.329853D+01 -0.927551D+00  0.540871D+01
      2  -0.173946D+01 -0.352441D+02 -0.262506D+01  0.508976D+01  0.961490D+01
      3   0.510187D+01  0.391776D+01  0.304524D+01  0.614577D+01 -0.165427D+02
               101           102           103           104           105 
      1   0.406088D+00  0.673306D-01 -0.210703D+01 -0.116218D+02 -0.383382D+01
      2  -0.318608D+01  0.221821D+02 -0.170870D+01  0.108987D+01  0.895106D+01
      3  -0.152096D+01 -0.273026D+01  0.418556D+01  0.241926D+02  0.747773D+00
               106           107           108           109           110 
      1   0.202666D+01  0.196935D+01  0.678295D+01  0.478550D+01  0.266324D+01
      2   0.154131D+02  0.739819D+01 -0.119987D+02 -0.164173D+02  0.843837D-01
      3  -0.470483D+01 -0.283373D+00 -0.945477D+01  0.218766D+01  0.143009D+02
               111           112           113           114           115 
      1   0.655804D+01  0.115216D+02 -0.310337D+00 -0.152866D+02  0.529396D+01
      2   0.158523D+01  0.345842D+01 -0.142277D+01 -0.600037D+01  0.975876D+01
      3   0.380751D+00  0.176984D+02  0.116625D+02 -0.240018D+01 -0.452685D-01
               116           117           118           119           120 
      1  -0.501320D+01 -0.894721D-01 -0.517235D+00  0.447916D+00  0.139836D+00
      2  -0.206623D+01 -0.233003D+01  0.123090D+01  0.506888D+00  0.291721D+01
      3  -0.162348D+01 -0.277147D+01  0.707467D+01 -0.123007D+01 -0.103838D+00
               121           122           123           124           125 
      1   0.746666D+00 -0.414549D+01 -0.220179D+01  0.170360D+00  0.638740D+00
      2   0.117779D+01  0.164137D+01 -0.470755D+01  0.223949D+01 -0.293558D+01
      3  -0.111663D+01  0.243400D+02 -0.292760D+01  0.478950D+00 -0.236279D+01
               126           127           128           129           130 
      1   0.233325D+00 -0.309797D+01  0.347097D+01 -0.184229D+00  0.347171D+01
      2   0.139025D+01 -0.111717D+02  0.208430D+01  0.571412D+01  0.171418D+01
      3   0.282213D+01  0.834757D+01 -0.841627D+01  0.138654D+01 -0.687838D+01
               131           132           133           134           135 
      1  -0.746011D+00 -0.297626D+00 -0.104138D+01  0.744129D+00 -0.117674D+01
      2  -0.134728D+01 -0.342591D+01  0.234859D+01 -0.162016D+01 -0.968134D-01
      3   0.168066D+01 -0.161878D+01  0.137675D+01 -0.125315D+01  0.264024D+01
               136           137           138           139           140 
      1  -0.157700D+01 -0.234124D+01  0.702469D+00 -0.848964D+00 -0.662426D+00
      2   0.842498D+01  0.187645D+01 -0.143009D+02  0.158147D+01  0.480392D+01
      3   0.229377D+01  0.170652D+01 -0.763735D+00  0.160963D+01  0.430686D+00
               141           142           143           144           145 
      1   0.151762D+01  0.616009D-01  0.400474D+01 -0.288699D+01  0.305444D+01
      2  -0.708655D+01 -0.689035D+01 -0.397371D+01  0.312396D+02 -0.112310D+01
      3  -0.449749D+01  0.429192D+00 -0.311788D+01  0.393249D+01 -0.542219D+01
               146           147           148           149           150 
      1   0.635943D+00  0.426544D+00  0.103592D+01  0.144759D+02 -0.104638D+01
      2  -0.119554D+01 -0.106429D+01 -0.587564D+00  0.210725D+01  0.548409D+01
      3  -0.137359D+01 -0.104456D+01 -0.352885D+00 -0.284018D+02 -0.345844D+01
               151           152           153           154           155 
      1   0.820644D+00  0.652321D+00  0.167215D+01 -0.422953D+01 -0.295882D+01
      2  -0.129911D+01  0.246609D+01  0.108685D+01  0.847935D+01  0.142033D+01
      3  -0.256113D+01  0.338639D+00 -0.339995D+01 -0.129351D+02 -0.225846D+02
               156           157           158           159           160 
      1  -0.247643D+01 -0.797043D+01 -0.249627D+01  0.302176D+00 -0.425224D+00
      2   0.223847D+02 -0.331457D+01  0.174988D+01  0.741871D+01  0.872380D+01
      3  -0.199800D+00 -0.162609D+02 -0.137598D+02  0.184377D+01  0.109246D+01
               161           162           163           164           165 
      1   0.350846D+01 -0.101084D+01 -0.515724D+01 -0.141741D+01 -0.403939D+00
      2   0.311230D+01  0.966198D+00  0.886031D+01  0.248394D+01  0.128157D+01
      3   0.219601D+01 -0.367431D+01 -0.789432D+01 -0.408867D+01  0.647700D+00
               166           167           168           169           170 
      1  -0.386466D+01  0.150767D+01  0.414183D+01  0.243091D+01  0.791325D+01
      2   0.342844D+01 -0.575373D+01  0.932803D+00 -0.801195D+01 -0.267272D+01
      3  -0.729751D+00  0.211537D+01  0.680764D+01  0.526280D+00  0.267761D+01
               171           172           173           174           175 
      1  -0.330410D+01  0.501683D+01  0.140094D+01 -0.185634D+01  0.431398D+01
      2  -0.239116D+02 -0.196180D+02 -0.240785D+01 -0.500884D+01 -0.338401D+01
      3   0.334066D+01  0.894028D+01  0.218335D+01 -0.467272D-01  0.546070D+01
               176           177           178           179           180 
      1  -0.445942D+00 -0.219772D+01 -0.241230D+01 -0.340879D+00  0.100270D+01
      2  -0.244552D+01 -0.155208D+01 -0.251853D+00 -0.252172D+00 -0.229143D+01
      3   0.944796D+00  0.112703D+01 -0.296108D+01 -0.355222D+00  0.139047D+01
               181           182           183           184           185 
      1   0.414642D+00 -0.347499D+01 -0.430413D+01 -0.352815D+00  0.150742D+01
      2   0.259796D+01  0.667044D+00  0.765704D+01  0.103594D+01  0.203739D+01
      3   0.156456D+02  0.598815D+01 -0.679467D+00 -0.123763D+02  0.593823D+01
               186           187           188           189           190 
      1  -0.135991D+01 -0.120171D+02  0.732895D+01 -0.244863D+01 -0.175067D+01
      2   0.230344D+01 -0.245262D+01  0.101227D+02 -0.308473D-01  0.117277D+02
      3  -0.172015D+01  0.193081D+01 -0.413963D+00  0.924176D+00  0.178497D+02
               191           192           193           194           195 
      1  -0.457362D+01  0.163674D+01 -0.394545D+01 -0.120862D+01  0.293714D+01
      2   0.372832D+01  0.131283D+00  0.459260D+01  0.130898D+01 -0.390542D-01
      3   0.209439D+02 -0.640631D+00  0.386217D+02  0.551893D+01  0.244727D+01
               196           197           198           199           200 
      1   0.489017D+00  0.118895D+02 -0.145711D+01  0.813688D-01  0.475334D+01
      2   0.259384D+01 -0.406133D+01  0.221734D+01 -0.828290D+01 -0.516635D+01
      3  -0.314477D+01  0.270106D+01 -0.131959D+01  0.390048D+01 -0.421217D+02
               201           202           203           204           205 
      1  -0.826103D+00  0.117773D+01  0.172444D+01 -0.283208D+01  0.450986D+01
      2   0.236804D+01 -0.550159D+01 -0.374335D+01 -0.379327D+01 -0.207047D+02
      3   0.363148D+01 -0.208425D+01 -0.933690D+01  0.186491D+01  0.239958D+01
               206           207           208           209           210 
      1   0.172036D+01  0.887518D+00  0.127550D+01  0.374435D+01 -0.131864D+01
      2  -0.152580D+02  0.155128D+01 -0.451145D+01 -0.323188D+01  0.143000D+02
      3  -0.646625D-01  0.856635D+01 -0.688763D+01 -0.378473D+02  0.155892D+01
               211           212           213           214           215 
      1  -0.486333D+00 -0.145715D+01 -0.415348D+01 -0.248252D+01 -0.864803D+00
      2   0.307351D-01  0.256270D+01  0.382744D+01 -0.545040D+01 -0.187152D+01
      3   0.479076D+00  0.150267D+02 -0.192691D+01 -0.616996D+00 -0.441847D+01
               216           217           218           219           220 
      1   0.144370D+00  0.633503D+00 -0.149571D+01  0.129734D+01 -0.992798D+00
      2   0.880013D+00 -0.243077D+00  0.417455D+01 -0.625327D+01  0.461962D+01
      3   0.341017D+01 -0.277551D+02  0.138790D+02 -0.552132D+01  0.289366D+02
               221           222           223           224           225 
      1  -0.588714D+00  0.195670D+01  0.912483D+01  0.459355D+01 -0.149852D+01
      2  -0.545089D+01 -0.357278D+02 -0.216957D+02 -0.268479D+02  0.760882D+01
      3   0.195757D+02  0.737896D+01 -0.494363D+01  0.565783D+01  0.277048D+02
               226           227           228           229           230 
      1   0.167287D+00 -0.278857D+00  0.994080D+00 -0.418997D-02 -0.726032D+00
      2  -0.755769D+00  0.852240D+00 -0.211879D-01  0.472622D+00 -0.213552D+01
      3  -0.623891D+01  0.434048D+01 -0.102182D+01  0.415827D+01 -0.206949D+02
               231           232           233           234           235 
      1  -0.458666D+01 -0.348182D+00  0.256641D+01  0.191616D+00 -0.105730D+01
      2   0.124740D+01 -0.421782D-01  0.294584D-02 -0.555232D-01  0.218721D+01
      3   0.220252D+01 -0.118401D+01  0.300909D+01 -0.889212D-01  0.394600D+01
               236           237           238           239           240 
      1  -0.385679D+00 -0.189174D+01 -0.378922D-01 -0.190320D+00 -0.235419D+01
      2   0.393109D+00  0.246745D+01 -0.301881D-01  0.213285D+00  0.327098D+01
      3  -0.544096D+01  0.612052D+00 -0.532605D+01 -0.106151D+02  0.624916D-01
               241           242           243           244           245 
      1   0.216858D+01  0.803843D+00  0.235182D+00  0.182965D+00 -0.333194D+00
      2  -0.293982D+01  0.403600D+00 -0.616396D+00  0.544957D+00 -0.692948D+00
      3   0.161904D+01  0.527374D+00 -0.126347D+01  0.342095D+01 -0.231853D+01
               246           247           248           249           250 
      1   0.989265D+00 -0.275379D+00  0.129513D-01 -0.396529D+01  0.138159D+00
      2   0.110919D+01 -0.650011D+00  0.256003D+01 -0.339066D+01 -0.141764D+01
      3   0.508785D+00 -0.152486D+01  0.206841D+02 -0.221196D+01  0.746505D+00
               251           252           253           254           255 
      1   0.173356D+01  0.338151D+00 -0.177205D+00  0.182954D+00 -0.120135D+00
      2  -0.205125D+00  0.410515D+00 -0.109773D+02 -0.269929D+01  0.327952D+01
      3  -0.216032D+01  0.388256D+00 -0.426130D+01 -0.238996D+01  0.236281D+01
               256           257           258           259           260 
      1   0.972557D+00  0.708712D+00 -0.233864D+01 -0.251387D+01  0.864512D+00
      2  -0.629074D+01 -0.930468D+01  0.147714D+02  0.152171D+02  0.144764D+02
      3  -0.100162D+02 -0.158048D+02  0.981185D+01  0.772189D+01  0.124999D+02
               261           262           263           264           265 
      1   0.398854D+01  0.976254D+00 -0.207992D-01  0.632499D+00 -0.417532D-01
      2  -0.321784D+02  0.740644D+01  0.183060D+00 -0.213597D+00  0.500235D+01
      3  -0.150047D+02 -0.434039D+01 -0.751240D+00 -0.157468D+00 -0.112099D+02
               266           267           268           269           270 
      1   0.122242D+01 -0.198676D+01 -0.109264D+01  0.163859D+01 -0.221381D+01
      2   0.128320D+02  0.176691D+02  0.110095D+02  0.161402D+02  0.249775D+02
      3  -0.238430D+02 -0.146791D+02 -0.642512D+01 -0.152807D+02 -0.174287D+02
               271           272           273           274           275 
      1  -0.105716D+01  0.775793D+00  0.296925D+00  0.796377D+00 -0.765383D+00
      2   0.379390D+01 -0.128060D+01  0.874686D+01 -0.189426D+01  0.173997D+01
      3   0.223906D+02 -0.133399D+02  0.240146D+01 -0.168266D+02  0.143719D+02
               276           277           278           279 
      1  -0.931924D+00 -0.877946D+00  0.531191D+00  0.401492D-01
      2  -0.324221D+01  0.951970D+01 -0.364161D+00  0.207050D+01
      3  -0.259155D+01  0.272659D+01 -0.258752D+01  0.524656D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.952190D+02 -0.434654D+02 -0.103310D+01  0.925410D+02 -0.921172D+01
      2   0.503272D+02  0.261485D+02  0.581822D+00 -0.417822D+02  0.120309D+02
      3   0.448917D+02  0.173169D+02  0.451283D+00 -0.507588D+02 -0.281915D+01
      4  -0.334538D+02  0.728082D+01 -0.311064D+01 -0.367816D+01  0.109628D+02
      5   0.354108D+01 -0.297688D+01 -0.363946D+00 -0.468866D+01 -0.350544D+01
      6  -0.264460D+00  0.138888D+01 -0.258815D+00 -0.405866D+01 -0.318676D+01
                 6             7             8             9            10 
      1   0.641939D+01 -0.178166D+02 -0.343502D+01 -0.122428D+02  0.613457D+02
      2  -0.448440D+01  0.791752D+01  0.142048D+01 -0.302187D+00 -0.158155D+02
      3  -0.193499D+01  0.989913D+01  0.201454D+01  0.125450D+02 -0.455302D+02
      4  -0.156043D+01 -0.211401D+01 -0.499644D+00  0.391337D+00 -0.446733D+01
      5  -0.876377D+00  0.134951D+01  0.189670D+01 -0.173541D+01  0.103087D+01
      6  -0.181598D+00 -0.272656D+01  0.327770D+01  0.434640D+00 -0.576036D+01
                11            12            13            14            15 
      1  -0.160119D+02  0.776101D+01 -0.114497D+03 -0.231306D+02 -0.645786D+01
      2   0.132047D+02 -0.264038D+01  0.516689D+02  0.193950D+02  0.111376D+01
      3   0.280721D+01 -0.512063D+01  0.628282D+02  0.373554D+01  0.534410D+01
      4   0.349009D+01 -0.131864D+01 -0.185008D+02 -0.143707D+02  0.176692D+00
      5  -0.380981D+01 -0.735624D+01  0.629382D+01  0.201659D+01  0.590591D-01
      6  -0.116893D+01 -0.866872D+00  0.266927D+01  0.633864D+00 -0.101695D+01
                16            17            18            19            20 
      1   0.181872D+02  0.319935D+00 -0.731562D+01  0.671830D+02  0.445946D+02
      2  -0.649266D+01 -0.900310D+00 -0.211858D+01 -0.319815D+02 -0.293214D+02
      3  -0.116945D+02  0.580374D+00  0.943419D+01 -0.352014D+02 -0.152731D+02
      4   0.188044D+01  0.107253D+01 -0.231501D+01  0.344127D+02 -0.112587D+02
      5  -0.101341D-01 -0.213491D+01 -0.181360D+01 -0.782550D+01  0.194559D+01
      6  -0.186734D+01  0.326216D+01  0.162215D+01 -0.216490D+01 -0.474187D+01
                21            22            23            24            25 
      1   0.293310D+01 -0.119459D+02  0.197783D+02 -0.190462D+01  0.801242D+01
      2  -0.220615D+00  0.185898D+02 -0.250640D+02  0.454271D+01 -0.469869D+01
      3  -0.271248D+01 -0.664392D+01  0.528570D+01 -0.263809D+01 -0.331373D+01
      4   0.300001D+01  0.137467D+02  0.198252D+01 -0.134215D+01  0.354196D+01
      5  -0.524208D+01 -0.249580D+01 -0.273644D+01 -0.672936D+01  0.807847D+01
      6   0.139145D+01 -0.405812D+01  0.408869D+01  0.469523D+01 -0.929745D+00
                26            27            28            29            30 
      1   0.436819D+01 -0.129901D+02 -0.122256D+01 -0.167681D+01 -0.314344D+01
      2   0.297306D+01 -0.112402D+01 -0.176290D+02  0.185868D+01 -0.135046D+00
      3  -0.734125D+01  0.141141D+02  0.188516D+02 -0.181874D+00  0.327848D+01
      4  -0.327344D+01 -0.452983D+01 -0.164495D+02  0.106351D+02 -0.344603D+00
      5  -0.834810D+01 -0.636205D+00  0.108847D+02  0.219027D+01  0.982747D+01
      6   0.123489D+02 -0.253856D+01  0.571592D+01  0.241267D+01 -0.234287D+01
                31            32            33            34            35 
      1  -0.493931D+02 -0.584029D+02  0.451511D+01 -0.354216D+00  0.410370D+01
      2   0.400035D+02  0.508932D+02 -0.561451D+01 -0.511407D+01 -0.519060D+01
      3   0.938959D+01  0.750970D+01  0.109939D+01  0.546828D+01  0.108690D+01
      4  -0.315389D+02  0.485265D+01 -0.187817D+01  0.502671D+01 -0.244956D+00
      5   0.525848D+01 -0.160344D+01  0.287148D+01  0.306439D+02  0.445219D+01
      6  -0.458585D+01  0.159241D+01 -0.395648D+01 -0.360951D+01  0.270726D+01
                36            37            38            39            40 
      1  -0.989566D+00 -0.186470D+02 -0.540967D+02  0.250619D+01  0.399051D+02
      2  -0.972501D+01  0.956640D+01  0.412232D+02 -0.171089D+01 -0.402692D+02
      3   0.107146D+02  0.908056D+01  0.128736D+02 -0.795291D+00  0.364124D+00
      4  -0.141667D+01 -0.128131D+02 -0.297389D+01 -0.105764D+01  0.101238D+02
      5   0.114408D+01  0.119348D+01 -0.394690D+01  0.635257D+01  0.348857D+01
      6   0.210895D+01 -0.361427D+01  0.252329D+01  0.748059D+01  0.801461D+01
                41            42            43            44            45 
      1   0.363418D+02 -0.380127D+01 -0.890785D+01 -0.115111D+02 -0.919706D+01
      2  -0.334376D+02  0.126864D+01  0.748098D+01  0.805269D+01 -0.147343D+01
      3  -0.290421D+01  0.253263D+01  0.142687D+01  0.345843D+01  0.106705D+02
      4  -0.171574D+02  0.374002D+01 -0.249044D+01  0.270861D+01  0.788660D+01
      5   0.526012D+01  0.519244D+01  0.165453D+02  0.448872D+01  0.420449D+00
      6  -0.102028D+01  0.216847D+01  0.180525D+02  0.732971D+01  0.497423D+01
                46            47            48            49            50 
      1   0.322600D+02  0.421774D+02  0.997768D+00 -0.672830D+01  0.601473D+01
      2  -0.247228D+02 -0.328481D+02 -0.304066D+00  0.456414D+01 -0.162010D+02
      3  -0.753717D+01 -0.932935D+01 -0.693702D+00  0.216416D+01  0.101862D+02
      4   0.665610D+01 -0.829985D+01  0.161282D+01  0.875064D+01  0.790409D+01
      5  -0.439122D+01  0.421113D+01 -0.167818D+01 -0.264993D+00 -0.173810D+00
      6   0.407202D+01 -0.497847D+01 -0.496855D+01 -0.546841D-01  0.683980D+01
                51            52            53            54            55 
      1  -0.418268D+01  0.578422D+01 -0.102917D+01 -0.205589D+02  0.227286D+02
      2   0.426422D+01 -0.481690D+01  0.405379D+01  0.964578D+01 -0.201842D+02
      3  -0.815402D-01 -0.967317D+00 -0.302462D+01  0.109131D+02 -0.254436D+01
      4  -0.807990D+00  0.371174D+00 -0.415026D+01 -0.193018D+01  0.268064D+02
      5  -0.849226D-01  0.366123D+01  0.949057D+00 -0.242864D+01  0.194107D+01
      6   0.675062D+01 -0.425008D+01  0.213022D+02 -0.245246D+01  0.329013D+01
                56            57            58            59            60 
      1   0.533523D+02 -0.145566D+01  0.819246D+01  0.237852D+02 -0.449902D+01
      2  -0.358272D+02  0.586573D-01 -0.217769D+01 -0.245643D+02  0.531867D+01
      3  -0.175251D+02  0.139700D+01 -0.601477D+01  0.779119D+00 -0.819644D+00
      4  -0.402585D+02  0.469958D+01  0.266289D+02  0.119379D+02  0.187496D+01
      5   0.595387D+01 -0.996545D+01 -0.275884D+01  0.137952D+01  0.546955D+01
      6  -0.149913D+01 -0.544081D+01 -0.194384D+00  0.598694D+01  0.606986D+01
                61            62            63            64            65 
      1   0.230991D+01 -0.152034D+01 -0.192118D+02 -0.137562D+01  0.268928D+01
      2  -0.208302D+01  0.651952D+01  0.703484D+01  0.406409D+01 -0.389230D+01
      3  -0.226890D+00 -0.499918D+01  0.121770D+02 -0.268848D+01  0.120302D+01
      4  -0.187632D+01 -0.377087D+01  0.124414D+02 -0.498684D+01  0.952882D+01
      5   0.235047D+01  0.149994D+02 -0.679896D+01  0.111692D+01 -0.176730D+01
      6   0.848442D+00  0.206262D+02 -0.410379D+01 -0.197027D+01  0.172737D+01
                66            67            68            69            70 
      1  -0.430066D+00  0.738153D+01 -0.320711D+02  0.476244D+01 -0.306900D+00
      2   0.285627D+00 -0.995327D+01  0.387338D+02 -0.352950D+01  0.403224D+00
      3   0.144439D+00  0.257174D+01 -0.666270D+01 -0.123294D+01 -0.963248D-01
      4  -0.136044D+01  0.101219D+02 -0.182561D+02  0.227803D+01 -0.158555D+01
      5   0.140226D+01 -0.177240D+01  0.149888D+01 -0.215048D+01  0.350299D+00
      6  -0.106364D+01  0.279358D+01 -0.948715D+01  0.709731D+01 -0.201973D+01
                71            72            73            74            75 
      1   0.334497D+01 -0.389026D+01  0.115732D+02 -0.843642D+00  0.425355D+00
      2  -0.341268D+01  0.406354D+01 -0.313785D+00  0.794646D+01 -0.791064D+00
      3   0.677063D-01 -0.173285D+00 -0.112594D+02 -0.710282D+01  0.365708D+00
      4   0.273504D+01 -0.103963D+01  0.259967D+02  0.192016D+02 -0.588325D-02
      5   0.100576D-01  0.695323D+00  0.325420D+01  0.208069D+00  0.509211D+01
      6   0.378122D+01 -0.216507D+01  0.177984D+01  0.966747D+00  0.288834D+01
                76            77            78            79            80 
      1  -0.378718D+01 -0.882192D+01 -0.229695D+00  0.194855D+01  0.586180D+00
      2   0.134594D+02  0.185395D+02  0.119742D-01 -0.229732D+01 -0.987841D+00
      3  -0.967218D+01 -0.971762D+01  0.217721D+00  0.348770D+00  0.401661D+00
      4   0.256838D+02  0.255711D+02 -0.232036D+00 -0.133019D+01 -0.137835D+01
      5  -0.230775D+00  0.126072D+00  0.329349D+01  0.126136D+01  0.211812D+01
      6   0.924668D+00  0.156513D+01  0.436754D+01 -0.559824D+00  0.253114D+01
                81            82            83            84            85 
      1   0.767015D+00 -0.439884D+01  0.652473D+01 -0.127276D+01  0.315978D+01
      2   0.535354D+00  0.673049D+01 -0.881019D+01  0.113498D+01 -0.381812D+01
      3  -0.130237D+01 -0.233165D+01  0.228546D+01  0.137784D+00  0.658333D+00
      4   0.255832D+01 -0.291480D+01  0.110125D+02 -0.942162D+00  0.641565D+01
      5  -0.194702D+00 -0.345842D+00 -0.600681D-01  0.156488D+01 -0.146892D+00
      6  -0.518881D+00 -0.532306D+00  0.123356D+01 -0.154299D+01  0.144955D+00
                86            87            88            89            90 
      1  -0.527855D+02  0.514498D+01 -0.132081D+01  0.630297D+01 -0.316331D+01
      2   0.700610D+02 -0.563315D+01  0.129154D+01 -0.744462D+01  0.385027D+01
      3  -0.172755D+02  0.488167D+00  0.292750D-01  0.114166D+01 -0.686962D+00
      4  -0.848845D+01  0.475291D+00 -0.787723D+00  0.146002D+01 -0.170894D+01
      5  -0.185453D+01 -0.457926D+00  0.904752D+00 -0.114478D+01  0.540110D+00
      6  -0.420162D+01  0.817441D+01  0.584265D+00  0.430201D+01 -0.183981D+01
                91            92            93            94            95 
      1  -0.899597D+01 -0.664395D+01  0.931063D+01 -0.916431D+01  0.146564D+02
      2   0.165027D+02  0.640302D+01  0.576572D+00  0.114938D+02 -0.195975D+02
      3  -0.750674D+01  0.240934D+00 -0.988721D+01 -0.232951D+01  0.494113D+01
      4  -0.377790D+01  0.153884D+01 -0.397927D+01 -0.303823D+01  0.386383D+02
      5  -0.617768D-01 -0.558934D+01 -0.245808D+02 -0.190817D+02 -0.555707D+01
      6  -0.541455D+01 -0.167596D+01 -0.507488D+00 -0.332241D+00  0.955872D+01
                96            97            98            99           100 
      1  -0.110224D+02  0.477452D+01 -0.521895D+01 -0.247865D+02 -0.603176D+02
      2   0.128131D+02  0.459323D+01  0.534254D+01  0.185354D+02  0.333872D+02
      3  -0.179070D+01 -0.936775D+01 -0.123586D+00  0.625102D+01  0.269304D+02
      4  -0.541529D+01 -0.960432D+01 -0.409269D+01 -0.454273D+01  0.260168D+02
      5  -0.606818D+01 -0.576217D+02 -0.733283D+01 -0.290828D+01 -0.321881D+02
      6  -0.143560D+01 -0.219035D+00 -0.507763D+00 -0.465311D+01  0.124768D+02
               101           102           103           104           105 
      1   0.191417D+02 -0.309230D+02  0.346464D+02  0.814170D+00 -0.249895D+00
      2  -0.101626D+02  0.118850D+01 -0.256362D+02 -0.724910D+01 -0.108999D+02
      3  -0.897906D+01  0.297345D+02 -0.901017D+01  0.643493D+01  0.111498D+02
      4  -0.172474D+01  0.339979D+01 -0.456194D+01 -0.400467D+02 -0.163234D+01
      5   0.859471D+01  0.189710D+02  0.234280D+02 -0.492082D+00  0.189416D+02
      6  -0.409807D+00  0.368641D+00 -0.445169D+00 -0.174999D+02 -0.243167D+00
               106           107           108           109           110 
      1  -0.703785D+01 -0.296208D+01  0.375378D+02 -0.966225D+02 -0.132811D+02
      2  -0.127767D+02 -0.516870D+01 -0.111088D+02  0.428622D+02  0.221620D+01
      3   0.198146D+02  0.813078D+01 -0.264290D+02  0.537603D+02  0.110649D+02
      4   0.592617D+01  0.144890D+01  0.152168D+02 -0.198495D+02 -0.181178D+02
      5   0.393717D+02  0.148069D+02  0.115154D+02  0.145294D+02  0.629903D+01
      6   0.354488D+01  0.127145D+01  0.114627D+02  0.637121D+01  0.189750D+01
               111           112           113           114           115 
      1   0.496524D+01 -0.234354D+02 -0.110119D+02  0.566584D+01 -0.178149D+02
      2  -0.242829D+01  0.640062D+01  0.108242D+02 -0.269284D+01  0.135783D+02
      3  -0.253694D+01  0.170348D+02  0.187669D+00 -0.297301D+01  0.423657D+01
      4   0.390436D+01  0.107905D+01 -0.171685D+02 -0.245876D+00  0.599899D+01
      5  -0.680538D+01  0.125264D+02  0.152383D+01 -0.311847D+01  0.226583D+02
      6  -0.294702D+01  0.265500D+01  0.929904D+00  0.698309D+00  0.102469D+01
               116           117           118           119           120 
      1   0.525662D+01  0.222492D+02 -0.738491D+01 -0.692365D+01 -0.584051D+00
      2  -0.276703D+01 -0.540696D+01  0.891322D+01  0.273795D+01  0.263112D+00
      3  -0.248959D+01 -0.168422D+02 -0.152831D+01  0.418571D+01  0.320939D+00
      4  -0.106495D+01  0.187380D+01 -0.974927D+01  0.755459D+01 -0.798420D+00
      5   0.280609D+01 -0.919042D+01  0.225029D+00 -0.128443D+01  0.676297D+01
      6  -0.458029D+01 -0.255957D+01 -0.256256D+01  0.768049D+00 -0.175054D+00
               121           122           123           124           125 
      1  -0.847619D+01 -0.178248D+02  0.539853D+01 -0.158860D+01  0.223085D+01
      2   0.439311D-01  0.299519D+02 -0.426083D+01  0.110719D+01 -0.626807D+00
      3   0.843226D+01 -0.121271D+02 -0.113770D+01  0.481412D+00 -0.160405D+01
      4   0.160169D+02 -0.468801D+02  0.544604D+01 -0.627969D+00  0.424945D+01
      5  -0.827577D+00  0.517090D+01 -0.108311D+02  0.935393D+01 -0.620489D+01
      6   0.217697D+01 -0.108559D+02  0.617067D+01 -0.186381D+01  0.641252D+01
               126           127           128           129           130 
      1  -0.391489D+00  0.104359D+03 -0.136693D+02  0.196640D+02 -0.243298D+02
      2   0.474081D+00 -0.620384D+02  0.693825D+01 -0.164783D+02  0.140401D+02
      3  -0.825924D-01 -0.423208D+02  0.673107D+01 -0.318569D+01  0.102897D+02
      4  -0.659304D+01 -0.198469D+02  0.152378D+02 -0.369689D+01  0.209383D+02
      5   0.428118D+01  0.583579D+02 -0.656635D+01  0.267688D+02 -0.167079D+02
      6  -0.251799D+01 -0.784740D+01  0.602340D+01 -0.188266D+01  0.786813D+01
               131           132           133           134           135 
      1   0.120754D+02 -0.347934D+01  0.950435D+01 -0.585577D+00  0.799792D+01
      2  -0.472509D+01  0.518363D+01 -0.947198D+01  0.201767D+01 -0.832132D+01
      3  -0.735031D+01 -0.170429D+01 -0.323771D-01 -0.143209D+01  0.323403D+00
      4  -0.576421D+01  0.482211D+01 -0.294070D+01  0.152630D+01 -0.534021D+01
      5   0.735124D+01 -0.107245D+02  0.187049D+02 -0.537010D+01  0.937165D+01
      6  -0.205104D+01  0.320517D+01 -0.248541D+01  0.141104D+01 -0.241027D+01
               136           137           138           139           140 
      1  -0.792774D+01 -0.499061D+01  0.238198D+02 -0.680919D+01 -0.786646D+01
      2  -0.711186D+00  0.165268D+01  0.153054D+01  0.447766D+01  0.135568D+01
      3   0.863893D+01  0.333793D+01 -0.253504D+02  0.233153D+01  0.651078D+01
      4  -0.386155D+01 -0.297486D+01  0.118781D+01  0.108400D+01 -0.655313D+00
      5   0.163606D+01 -0.108400D+01 -0.112542D+02 -0.496939D+01  0.576802D+01
      6  -0.270426D+01 -0.364774D+01  0.225469D+01 -0.408353D+00 -0.286150D+01
               141           142           143           144           145 
      1   0.756950D+01  0.106669D+02  0.447426D+01 -0.417112D+02  0.897843D+01
      2   0.296973D+01 -0.323511D+01  0.159874D+01 -0.143275D+02 -0.224696D+01
      3  -0.105392D+02 -0.743177D+01 -0.607300D+01  0.560388D+02 -0.673147D+01
      4   0.795374D+01 -0.349305D+00  0.631770D+01 -0.767089D+01  0.750985D+01
      5  -0.111762D+02  0.444141D+01 -0.526988D+01  0.407677D+02  0.414063D+01
      6   0.943329D+01 -0.181030D+00  0.716246D+01 -0.750023D+01  0.262412D+01
               146           147           148           149           150 
      1   0.649597D+01  0.414475D+01  0.118369D+02 -0.495248D+01 -0.145191D+01
      2  -0.266089D+01 -0.200860D+00 -0.614209D+01  0.145655D+02 -0.284055D+01
      3  -0.383508D+01 -0.394389D+01 -0.569480D+01 -0.961305D+01  0.429247D+01
      4   0.712753D+01  0.988329D+00  0.150033D+02  0.517727D+02  0.910957D+01
      5   0.286477D+01 -0.507709D+00  0.112534D+02  0.932059D+01  0.135211D+02
      6   0.183862D+01  0.257973D+00  0.572736D+01  0.247793D+02  0.834658D+01
               151           152           153           154           155 
      1  -0.143667D+01 -0.156393D+01 -0.571840D+01  0.199263D+03  0.219696D+02
      2   0.218648D+01 -0.131088D+01  0.218595D+01 -0.953564D+02 -0.833900D+01
      3  -0.749804D+00  0.287481D+01  0.353245D+01 -0.103906D+03 -0.136306D+02
      4   0.959024D+00  0.923563D+00  0.543490D+01  0.220008D+02  0.357934D+02
      5  -0.142084D+01  0.545759D+01 -0.126844D+00 -0.363046D+02 -0.410506D+01
      6   0.117851D+01  0.484124D+01  0.249550D+01 -0.492782D+01 -0.538689D+01
               156           157           158           159           160 
      1  -0.796015D+01  0.322950D+02  0.334414D+02 -0.188343D+01 -0.121718D+02
      2   0.895979D+01 -0.140355D+02 -0.121745D+02  0.212665D+01  0.108421D+02
      3  -0.999640D+00 -0.182595D+02 -0.212670D+02 -0.243216D+00  0.132963D+01
      4  -0.125341D+01  0.471315D+02  0.249094D+02 -0.365810D+01 -0.331016D+01
      5   0.379611D+02 -0.881412D+01 -0.807275D+01  0.976465D+01  0.382717D+02
      6  -0.268634D+00 -0.920022D+01 -0.488294D+01  0.515118D+01  0.197559D+01
               161           162           163           164           165 
      1  -0.169515D+01  0.218821D+02  0.445231D+02  0.379092D+01 -0.148837D+02
      2   0.138209D+01 -0.156926D+02 -0.318937D+02 -0.131709D+01  0.911261D+01
      3   0.313059D+00 -0.618944D+01 -0.126294D+02 -0.247384D+01  0.577107D+01
      4  -0.252565D+01  0.518538D+01 -0.116783D+01  0.732430D+01  0.347202D+01
      5   0.696277D+01 -0.788028D+01 -0.314365D+02  0.140594D+01  0.183083D+02
      6   0.488043D+01 -0.177294D+01  0.312549D+00 -0.123605D+01 -0.885501D+00
               166           167           168           169           170 
      1   0.118416D+02 -0.912666D+01 -0.317847D+01  0.146090D+00 -0.299318D+01
      2  -0.615643D+01  0.369557D+01  0.233096D+01  0.241528D+01  0.777973D+00
      3  -0.568513D+01  0.543109D+01  0.847519D+00 -0.256137D+01  0.221521D+01
      4   0.339640D+01 -0.475007D+01 -0.109453D+02  0.451971D+01 -0.560383D+01
      5  -0.389921D+01 -0.103696D+02 -0.270445D+00  0.154117D+02 -0.622142D+01
      6  -0.769191D+00  0.460303D+01  0.120292D+02 -0.332973D+01  0.118434D+02
               171           172           173           174           175 
      1  -0.320076D+02 -0.461918D+02 -0.545230D+01 -0.530969D+01 -0.925415D+01
      2  -0.111161D+02  0.291765D+02  0.283122D+01 -0.440995D+01  0.556782D+01
      3   0.431237D+02  0.170153D+02  0.262108D+01  0.971964D+01  0.368633D+01
      4  -0.764985D+01  0.180031D+01 -0.435414D+01 -0.248671D+01  0.883805D+00
      5  -0.420723D+02  0.244744D+02 -0.105703D+01 -0.137361D+02  0.273176D+01
      6   0.929372D+01  0.490397D+00  0.379622D+01  0.349025D+01  0.395801D+00
               176           177           178           179           180 
      1  -0.540734D+01 -0.190566D+01  0.951417D+01 -0.453936D+00 -0.821557D+01
      2   0.383084D+01  0.620017D+00 -0.109562D+02  0.134866D+00  0.463505D+01
      3   0.157649D+01  0.128565D+01  0.144202D+01  0.319070D+00  0.358052D+01
      4  -0.197291D+01 -0.295464D+01 -0.151143D+01  0.444294D+00  0.722168D+00
      5  -0.213039D+01 -0.211991D+01 -0.114350D+02  0.294117D+00  0.364349D+01
      6   0.210291D+01  0.322488D+01  0.254330D+01  0.764124D+00  0.689698D-01
               181           182           183           184           185 
      1  -0.363120D+01 -0.524175D+02  0.327872D+01  0.919910D+02  0.264521D+02
      2   0.431726D+01  0.369948D+02 -0.657154D+00 -0.648396D+02 -0.236455D+02
      3  -0.686059D+00  0.154227D+02 -0.262157D+01 -0.271514D+02 -0.280652D+01
      4  -0.199570D+02  0.407946D+02 -0.649985D+01  0.133775D+02 -0.407416D+02
      5  -0.463471D+01 -0.846989D+01  0.163318D+02  0.596583D+01  0.779894D+01
      6  -0.391050D+01 -0.283737D+01  0.812041D+01  0.615273D+01  0.281758D+01
               186           187           188           189           190 
      1   0.340196D+01 -0.140255D+02 -0.848243D+01  0.412193D+01  0.156081D+03
      2  -0.222569D+01  0.127218D+02  0.688968D+01 -0.895890D+01 -0.792778D+02
      3  -0.117627D+01  0.130365D+01  0.159275D+01  0.483697D+01 -0.768034D+02
      4   0.796178D+01 -0.250326D+01  0.106548D+02  0.159974D+02 -0.142626D+01
      5   0.678411D+01  0.303865D+02  0.143521D+02 -0.250886D+01 -0.580105D+00
      6   0.290590D+01  0.156247D+02  0.762490D+01  0.266045D+01 -0.155612D+01
               191           192           193           194           195 
      1   0.190302D+02  0.782564D+01 -0.516527D+02 -0.244981D+02  0.139532D+01
      2  -0.860386D+01 -0.294090D+01  0.447186D+02  0.285264D+02 -0.305327D+01
      3  -0.104264D+02 -0.488474D+01  0.693405D+01 -0.402827D+01  0.165795D+01
      4   0.339576D+02 -0.302937D+01 -0.155819D+02  0.618090D+02 -0.816875D+01
      5  -0.283084D+01  0.196633D+01  0.357621D+01 -0.810246D+01 -0.216580D+00
      6  -0.227143D+01 -0.286661D+01 -0.693669D+01 -0.371359D+01 -0.324474D+01
               196           197           198           199           200 
      1   0.105427D+02  0.651097D+01  0.247860D+02 -0.116685D+03  0.680851D-01
      2  -0.809817D+01 -0.555000D+01 -0.221741D+02  0.448635D+02 -0.592947D+01
      3  -0.244457D+01 -0.960972D+00 -0.261192D+01  0.718220D+02  0.586139D+01
      4   0.733571D+01 -0.415820D+01 -0.160253D+01 -0.110251D+01 -0.355958D+02
      5   0.497941D+02  0.314138D+01  0.373595D+01 -0.212062D+01  0.820152D+01
      6  -0.210674D+01  0.321126D+01  0.166487D+01  0.693066D+01  0.208097D+00
               201           202           203           204           205 
      1  -0.703817D+01 -0.733657D+02 -0.249546D+01 -0.661181D+01  0.122541D-01
      2   0.352114D+01  0.444863D+02 -0.116872D+02  0.552919D+01 -0.225144D+01
      3   0.351703D+01  0.288794D+02  0.141826D+02  0.108262D+01  0.223918D+01
      4   0.610293D+01  0.194413D+01 -0.173359D+02 -0.165373D+01  0.199959D+01
      5   0.270109D+01 -0.228908D+01 -0.218915D+01 -0.869909D+01  0.371238D+00
      6   0.917766D+00 -0.998473D+00  0.588703D+01  0.455360D+01 -0.157159D+01
               206           207           208           209           210 
      1   0.570529D+00 -0.208413D+02 -0.238809D+02 -0.276724D+02 -0.286726D+01
      2   0.359403D+01  0.408364D+01  0.101272D+02  0.141765D+02 -0.723583D-01
      3  -0.416456D+01  0.167577D+02  0.137537D+02  0.134959D+02  0.293962D+01
      4  -0.741352D+01 -0.204849D+02 -0.224871D+02  0.104345D+02  0.365046D+00
      5  -0.227595D+02  0.302517D+01  0.117874D+01  0.699516D+00  0.279204D+02
      6   0.159549D+02 -0.104624D+01  0.266559D+00  0.203676D+01  0.282253D+01
               211           212           213           214           215 
      1   0.715350D+01  0.104498D+02 -0.159108D+01 -0.477992D+01 -0.259795D+01
      2  -0.896894D+01 -0.204705D+01  0.136541D+01  0.125018D+01  0.219958D+01
      3   0.181544D+01 -0.840271D+01  0.225665D+00  0.352974D+01  0.398376D+00
      4   0.340194D+02 -0.214385D+02  0.428593D+01 -0.349915D+01  0.146117D+01
      5  -0.401601D+01  0.267493D+01  0.630641D+01  0.984014D+01 -0.625030D+01
      6   0.167396D+01 -0.535272D+00  0.719458D+01 -0.366625D+01  0.480611D+01
               216           217           218           219           220 
      1  -0.562886D+00 -0.443020D+02  0.492367D+02 -0.562325D+01  0.549597D+02
      2  -0.247784D+00  0.251326D+02 -0.251796D+02  0.320143D+01 -0.253136D+02
      3   0.810670D+00  0.191694D+02 -0.240571D+02  0.242182D+01 -0.296461D+02
      4  -0.713236D+01  0.484051D+02 -0.109397D+02  0.794438D+01 -0.395936D+02
      5   0.380920D+01 -0.649093D+01  0.826121D+01 -0.184273D+02  0.118114D+02
      6  -0.154687D+01  0.286668D+01 -0.384007D+00 -0.267553D+01 -0.260158D+01
               221           222           223           224           225 
      1  -0.163652D+02  0.151937D+02 -0.646199D+01  0.125918D+02 -0.101821D+02
      2   0.930455D+01 -0.671932D+01  0.240377D+01 -0.603607D+01  0.646233D+01
      3   0.706063D+01 -0.847439D+01  0.405823D+01 -0.655576D+01  0.371973D+01
      4  -0.206999D+02 -0.126891D+02  0.103514D+02 -0.890137D+01 -0.473564D+02
      5  -0.118006D+02 -0.691521D+02 -0.325720D+02 -0.485952D+02  0.152951D+02
      6  -0.366649D+01 -0.129892D+02 -0.918836D+01 -0.964557D+01 -0.109562D+01
               226           227           228           229           230 
      1  -0.472257D+01  0.124458D+02 -0.194929D+01  0.262355D+01 -0.508377D+02
      2   0.590055D+01 -0.110719D+02  0.127117D+01 -0.110403D+01  0.646126D+02
      3  -0.117797D+01 -0.137389D+01  0.678121D+00 -0.151952D+01 -0.137749D+02
      4   0.268576D+01  0.506910D+01  0.574191D-02  0.446747D+01  0.271851D+02
      5  -0.562742D+00  0.197451D+00  0.793308D+00 -0.366075D+00 -0.519748D+01
      6  -0.106102D+01  0.190572D+01 -0.152323D+01 -0.190273D+00 -0.964331D+01
               231           232           233           234           235 
      1   0.556614D+01 -0.892105D+00  0.656279D+01 -0.299739D+01  0.478559D+02
      2  -0.515801D+01  0.598539D+00 -0.681488D+01  0.353155D+01 -0.175601D+02
      3  -0.408125D+00  0.293566D+00  0.252092D+00 -0.534159D+00 -0.302958D+02
      4  -0.305419D+01  0.101407D+00 -0.277301D+01 -0.581843D+00  0.377675D+02
      5   0.331278D+01  0.145093D+01  0.153168D+00 -0.133374D+00 -0.903423D+00
      6   0.824704D+01  0.103215D+00  0.439721D+01 -0.194808D+01  0.101383D+00
               236           237           238           239           240 
      1   0.162590D+02  0.146790D+01  0.232427D+02  0.114801D+02 -0.197438D+00
      2  -0.169272D+01 -0.649431D+00 -0.575490D+00  0.743698D+01  0.299613D+00
      3  -0.145663D+02 -0.818465D+00 -0.226672D+02 -0.189171D+02 -0.102175D+00
      4   0.273772D+02  0.703059D-01  0.410401D+02  0.390694D+02 -0.495863D+00
      5  -0.139174D+01  0.457257D+01 -0.314853D+01 -0.249328D+01  0.560917D+01
      6  -0.206283D+00  0.241496D+01 -0.121252D+01 -0.842940D+00  0.401977D+01
               241           242           243           244           245 
      1   0.162605D+01 -0.263228D+00 -0.686710D+00 -0.155508D+01 -0.566428D+01
      2  -0.164399D+01 -0.350269D+00  0.103282D+01  0.527055D+01 -0.141559D+01
      3   0.179415D-01  0.613497D+00 -0.346111D+00 -0.371546D+01  0.707988D+01
      4  -0.151515D+01 -0.145775D+01  0.270920D+01 -0.156724D+02  0.173181D+02
      5  -0.998579D+00  0.227955D+01 -0.699992D+00  0.127658D+01 -0.187883D+01
      6  -0.161690D+00  0.183195D+01 -0.452116D+00 -0.100590D+01  0.139072D+01
               246           247           248           249           250 
      1   0.214582D+00 -0.123006D+01 -0.206199D+02  0.244065D+01 -0.221989D+00
      2   0.182434D+00 -0.843924D+01  0.366696D+02 -0.296136D+01  0.671785D+00
      3  -0.397016D+00  0.966931D+01 -0.160497D+02  0.520715D+00 -0.449796D+00
      4  -0.264269D+01  0.241306D+02 -0.517440D+02  0.588964D+01 -0.345840D+01
      5   0.250886D+01 -0.194794D+01  0.342913D+01 -0.617855D+01  0.239215D+01
      6  -0.142259D+01  0.172721D+01 -0.503614D+01  0.707750D+01 -0.281141D+01
               251           252           253           254           255 
      1   0.152157D+01 -0.163365D+01  0.191295D+02  0.591546D+01 -0.183465D+02
      2  -0.301503D+01  0.314651D+01 -0.103062D+02 -0.278067D+01  0.918122D+01
      3   0.149346D+01 -0.151286D+01 -0.882326D+01 -0.313478D+01  0.916526D+01
      4   0.660917D+01 -0.270411D+01  0.732871D+01  0.521865D+01 -0.721289D+01
      5  -0.134629D+01  0.133017D+01 -0.215058D+02 -0.693733D+01  0.886294D+01
      6   0.365580D+01 -0.189463D+01 -0.304782D+01 -0.923882D+00  0.511418D+00
               256           257           258           259           260 
      1   0.180829D+02  0.111266D+02 -0.878802D+01 -0.488318D+02 -0.101705D+02
      2  -0.880653D+01 -0.350272D+01  0.353800D+01  0.279216D+02  0.502364D+01
      3  -0.927639D+01 -0.762387D+01  0.525002D+01  0.209102D+02  0.514684D+01
      4   0.255136D+02  0.254240D+02 -0.181206D+02 -0.199216D+02 -0.203678D+02
      5  -0.170234D+02 -0.187855D+02  0.292549D+02  0.407865D+02  0.273488D+02
      6  -0.326843D+01 -0.442591D+01  0.737573D+01  0.642533D+01  0.688895D+01
               261           262           263           264           265 
      1   0.153603D+02  0.602614D+01  0.660639D+01  0.151207D+02  0.210430D+02
      2  -0.144931D+02 -0.376009D+01 -0.326353D+01 -0.709273D+01 -0.107006D+02
      3  -0.867201D+00 -0.226605D+01 -0.334286D+01 -0.802799D+01 -0.103424D+02
      4   0.261837D+02  0.652750D+01  0.354717D+01  0.352602D+01  0.289941D+02
      5  -0.631104D+02  0.150883D+02  0.319632D+01  0.262535D+01  0.168584D+02
      6  -0.828728D+01  0.284978D+01  0.234247D+00 -0.328510D+00  0.609814D+01
               266           267           268           269           270 
      1   0.775802D+01  0.284392D+01  0.345740D+02  0.284457D+01  0.618694D+01
      2  -0.977390D+00 -0.194694D+01 -0.201770D+02 -0.255301D+01 -0.109936D+02
      3  -0.678063D+01 -0.896982D+00 -0.143970D+02 -0.291563D+00  0.480670D+01
      4   0.390078D+02  0.272238D+02  0.168620D+02  0.254788D+02  0.305383D+02
      5   0.266469D+02  0.352989D+02  0.327476D+02  0.308545D+02  0.486020D+02
      6   0.100665D+02  0.107585D+02  0.742623D+01  0.990873D+01  0.113342D+02
               271           272           273           274           275 
      1   0.167033D+03 -0.387645D+02  0.138812D+02 -0.761893D+02  0.303085D+02
      2  -0.859731D+02  0.194220D+02 -0.806585D+01  0.379284D+02 -0.136600D+02
      3  -0.810596D+02  0.193425D+02 -0.581535D+01  0.382610D+02 -0.166484D+02
      4  -0.458876D+02  0.234764D+02 -0.433318D+01  0.399456D+02 -0.295131D+02
      5   0.171050D+02 -0.426715D+01  0.177596D+02 -0.774296D+01  0.509840D+01
      6  -0.180357D+01  0.101595D+01 -0.951654D+00  0.191494D+01 -0.133460D+01
               276           277           278           279 
      1  -0.635385D+01  0.186179D+02 -0.457836D+01  0.189808D+02
      2   0.366589D+01 -0.110187D+02  0.267741D+01 -0.110572D+02
      3   0.268796D+01 -0.759912D+01  0.190094D+01 -0.792362D+01
      4   0.523948D+01 -0.544867D+01  0.458598D+01 -0.254004D+01
      5  -0.682553D+01  0.268742D+02 -0.235008D+01  0.568372D+01
      6   0.248866D+01 -0.174071D+01  0.281927D+01 -0.610314D+00
 Leave Link  716 at Fri Aug 13 00:46:46 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.303944D+03  0.140431D+02  0.116225D+02
      2   0.140431D+02  0.166421D+03 -0.379353D+01
      3   0.116225D+02 -0.379353D+01  0.119136D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.790477D+01  0.268247D+02  0.613230D+01
      2  -0.459825D+02  0.983082D+01  0.267891D+02
      3   0.897791D+01  0.570942D+02 -0.705492D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.332165D+03 -0.753108D+01 -0.470584D+02
      2   0.134771D+03  0.143353D+02 -0.609553D+01
      3   0.197394D+03 -0.680423D+01  0.531539D+02
      4  -0.145446D+02 -0.137936D+03  0.215654D+02
      5   0.312265D+02  0.204490D+02  0.639846D+02
      6   0.514057D+01  0.446621D+02 -0.234525D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.383610D+02  0.767942D+01  0.166423D+01 -0.485906D+02 -0.491576D+01
      2   0.767942D+01  0.350816D+01  0.239207D+00 -0.491576D+01 -0.579802D+01
      3   0.166423D+01  0.239207D+00 -0.394113D+00 -0.276319D+01  0.173783D+00
                 6             7             8             9            10 
      1  -0.276319D+01  0.775526D+01  0.123432D+01  0.177750D+01 -0.294226D+02
      2   0.173783D+00  0.123432D+01  0.648157D+00 -0.938062D+00 -0.528998D+01
      3  -0.114676D+00  0.177750D+01 -0.938062D+00  0.411522D+00 -0.120205D+01
                11            12            13            14            15 
      1  -0.528998D+01 -0.120205D+01  0.527255D+02  0.608535D+01  0.307399D+01
      2  -0.748984D+00 -0.244969D+00  0.608535D+01  0.672406D+01 -0.104002D+00
      3  -0.244969D+00 -0.219104D+00  0.307399D+01 -0.104002D+00 -0.267643D-01
                16            17            18            19            20 
      1  -0.786985D+01 -0.117513D+01 -0.101721D+01 -0.500337D+02 -0.978838D+01
      2  -0.117513D+01 -0.581638D+00  0.921674D+00 -0.978838D+01 -0.944885D+01
      3  -0.101721D+01  0.921674D+00 -0.195280D+00 -0.167732D+01  0.394266D+00
                21            22            23            24            25 
      1  -0.167732D+01 -0.142035D+02 -0.182673D+01  0.139926D+00 -0.235954D+01
      2   0.394266D+00 -0.182673D+01 -0.436594D+01 -0.575940D+00  0.291558D+00
      3  -0.569787D+00  0.139926D+00 -0.575940D+00 -0.209329D+01  0.472972D+00
                26            27            28            29            30 
      1   0.291558D+00  0.472972D+00  0.468758D+02  0.405831D+01  0.138661D+01
      2  -0.117122D+01 -0.365255D+01  0.405831D+01  0.565476D+01  0.753024D-01
      3  -0.365255D+01  0.118806D+01  0.138661D+01  0.753024D-01  0.234834D+01
                31            32            33            34            35 
      1   0.362533D+01  0.342680D+01  0.585175D+00  0.820539D+00  0.629042D+00
      2   0.342680D+01  0.143607D+02 -0.696837D+00  0.629042D+00 -0.321844D+00
      3   0.585175D+00 -0.696837D+00  0.339097D+00  0.613681D+01  0.774857D+00
                36            37            38            39            40 
      1   0.613681D+01  0.991778D+01 -0.162608D+01  0.367602D+00  0.609134D+01
      2   0.774857D+00 -0.162608D+01  0.113413D+02 -0.937594D+00  0.832537D+00
      3   0.668313D+00  0.367602D+00 -0.937594D+00  0.201943D+01  0.439563D+00
                41            42            43            44            45 
      1   0.832537D+00  0.439563D+00  0.260087D+00  0.216235D+00  0.451223D+01
      2  -0.919343D+01  0.113132D+01  0.216235D+00  0.233189D+01  0.152325D+01
      3   0.113132D+01  0.945909D+00  0.451223D+01  0.152325D+01  0.685461D+00
                46            47            48            49            50 
      1  -0.146111D+02  0.225635D+01 -0.132065D+01  0.106624D+01  0.196553D+01
      2   0.225635D+01 -0.826610D+01  0.226247D+00  0.196553D+01  0.172087D+00
      3  -0.132065D+01  0.226247D+00 -0.123803D+01 -0.308900D+00  0.802055D+00
                51            52            53            54            55 
      1  -0.308900D+00 -0.128159D+01 -0.644908D+00 -0.929828D+00  0.384705D+01
      2   0.802055D+00 -0.644908D+00  0.171786D+00  0.405046D+01 -0.362864D+01
      3   0.155231D+01 -0.929828D+00  0.405046D+01 -0.120939D+01  0.615199D+00
                56            57            58            59            60 
      1  -0.362864D+01  0.615199D+00 -0.268699D+01 -0.349326D+01  0.332578D+00
      2   0.583109D+01 -0.465893D+00 -0.349326D+01 -0.168781D+01 -0.662336D+00
      3  -0.465893D+00  0.172490D+01  0.332578D+00 -0.662336D+00 -0.149247D+01
                61            62            63            64            65 
      1   0.697793D+00  0.438424D+00 -0.206978D+00  0.545510D+00 -0.201873D+01
      2   0.438424D+00 -0.132607D+00 -0.388316D+01 -0.201873D+01  0.992488D+00
      3  -0.206978D+00 -0.388316D+01  0.120131D+01  0.298775D+00 -0.284083D+00
                66            67            68            69            70 
      1   0.298775D+00 -0.210520D+01  0.259090D+01 -0.436454D+00  0.399270D+00
      2  -0.284083D+00  0.259090D+01 -0.772485D+01  0.106430D+01 -0.554010D+00
      3   0.165721D+00 -0.436454D+00  0.106430D+01 -0.102716D+01  0.538450D-01
                71            72            73            74            75 
      1  -0.554010D+00  0.538450D-01  0.740787D+01  0.315491D+01  0.377170D+00
      2   0.984741D+00 -0.312366D+00  0.315491D+01  0.278004D+01 -0.249554D-01
      3  -0.312366D+00  0.246156D+00  0.377170D+00 -0.249554D-01  0.693415D+00
                76            77            78            79            80 
      1   0.414695D+01  0.414017D+01 -0.134594D+00  0.332496D+00 -0.364198D+00
      2   0.414017D+01  0.426147D+01  0.168893D-01 -0.364198D+00 -0.236830D+00
      3  -0.134594D+00  0.168893D-01  0.644943D+00 -0.166729D+00  0.341482D+00
                81            82            83            84            85 
      1  -0.166729D+00 -0.747487D+00  0.140756D+01 -0.209986D+00  0.579696D+00
      2   0.341482D+00  0.140756D+01 -0.150210D+01  0.262392D+00 -0.657737D+00
      3  -0.126037D+00 -0.209986D+00  0.262392D+00 -0.187382D+00  0.465899D-01
                86            87            88            89            90 
      1  -0.657737D+00  0.465899D-01 -0.217450D+00  0.244176D+00  0.850426D-01
      2   0.107570D+02 -0.101241D+01  0.244176D+00 -0.124063D+01  0.385376D+00
      3  -0.101241D+01  0.106723D+01  0.850426D-01  0.385376D+00 -0.192105D+00
                91            92            93            94            95 
      1  -0.156126D+02 -0.189910D+01  0.106391D+00 -0.778421D+00 -0.254089D+00
      2  -0.189910D+01  0.381685D+00 -0.562404D+00 -0.254089D+00  0.498799D+01
      3   0.106391D+00 -0.562404D+00 -0.348536D+01 -0.193791D+01 -0.903494D+00
                96            97            98            99           100 
      1  -0.193791D+01 -0.581569D-01 -0.142394D+01 -0.752786D+01 -0.570866D+01
      2  -0.903494D+00 -0.142394D+01 -0.534732D+00 -0.965178D+00  0.276340D+01
      3  -0.930915D+00 -0.752786D+01 -0.965178D+00  0.381118D+00 -0.140892D+01
               101           102           103           104           105 
      1   0.276340D+01 -0.140892D+01  0.700692D+01 -0.162832D+00  0.166661D+01
      2  -0.543044D+00  0.285605D+00 -0.162832D+00 -0.473464D+01 -0.518076D-01
      3   0.285605D+00  0.367532D+01  0.166661D+01 -0.518076D-01  0.266707D+01
               106           107           108           109           110 
      1   0.393643D+01  0.104239D+01  0.530403D+01 -0.632953D+01 -0.140988D+01
      2   0.104239D+01  0.449249D+00  0.201849D+01 -0.140988D+01 -0.419457D+00
      3   0.530403D+01  0.201849D+01 -0.625960D+00 -0.750998D-01  0.336862D+00
               111           112           113           114           115 
      1  -0.750998D-01 -0.177150D+01 -0.174424D+00  0.108884D+01 -0.633344D+01
      2   0.336862D+00 -0.174424D+00 -0.990007D+00 -0.170231D+00  0.565416D+00
      3   0.903513D+00  0.108884D+01 -0.170231D+00  0.425438D+00  0.398931D+01
               116           117           118           119           120 
      1   0.565416D+00  0.398931D+01 -0.147554D+01 -0.114875D+01  0.714209D-01
      2  -0.770577D+00  0.258071D+00 -0.114875D+01  0.447032D+00 -0.355250D-01
      3   0.258071D+00 -0.110909D+01  0.714209D-01 -0.355250D-01  0.714622D+00
               121           122           123           124           125 
      1  -0.264744D+01  0.172577D+01 -0.364458D-01 -0.197132D+00 -0.773100D-01
      2   0.172577D+01 -0.668205D+01  0.798775D+00 -0.773100D-01  0.642525D+00
      3  -0.364458D-01  0.798775D+00 -0.152245D+01  0.116317D+01 -0.100795D+01
               126           127           128           129           130 
      1   0.116317D+01  0.137984D+02 -0.164176D+01  0.323055D+01 -0.361103D+01
      2  -0.100795D+01 -0.164176D+01  0.127099D+01 -0.251001D+00  0.174115D+01
      3   0.647312D+00  0.323055D+01 -0.251001D+00  0.198934D+01 -0.110455D+01
               131           132           133           134           135 
      1   0.174115D+01 -0.110455D+01  0.140675D+01 -0.356639D+00  0.134519D+01
      2  -0.527195D+00  0.426291D+00 -0.356639D+00 -0.268811D-01 -0.554188D+00
      3   0.426291D+00 -0.111136D+01  0.134519D+01 -0.554188D+00  0.666904D+00
               136           137           138           139           140 
      1  -0.776462D+00 -0.451343D+00  0.107145D+01 -0.116037D+01 -0.451234D-01
      2  -0.451343D+00 -0.477069D+00  0.167395D+00 -0.451234D-01 -0.181450D+00
      3   0.107145D+01  0.167395D+00 -0.320188D+01 -0.247517D+00  0.119295D+01
               141           142           143           144           145 
      1  -0.247517D+00  0.708267D+00 -0.747924D-01 -0.584106D+00  0.878847D+00
      2   0.119295D+01 -0.747924D-01  0.967423D+00 -0.910334D+00  0.925318D+00
      3  -0.186467D+01 -0.584106D+00 -0.910334D+00  0.758620D+01  0.294323D-01
               146           147           148           149           150 
      1   0.925318D+00  0.294323D-01  0.240646D+01  0.122849D+01  0.903442D+00
      2   0.446857D+00  0.832956D-01  0.122849D+01  0.644758D+01  0.113374D+01
      3   0.832956D-01 -0.379597D+00  0.903442D+00  0.113374D+01  0.170514D+01
               151           152           153           154           155 
      1  -0.648033D+00  0.171134D+00 -0.330766D+00  0.197990D+02  0.222310D+01
      2   0.171134D+00  0.702864D-01  0.736081D+00  0.222310D+01  0.185225D+01
      3  -0.330766D+00  0.736081D+00  0.212657D+00 -0.119446D+01 -0.130807D-01
               156           157           158           159           160 
      1  -0.119446D+01  0.447401D+01  0.402768D+01 -0.622447D+00 -0.219169D+01
      2  -0.130807D-01  0.402768D+01  0.212597D+01 -0.265265D+00 -0.437037D+00
      3   0.301133D+01 -0.622447D+00 -0.265265D+00  0.837056D+00  0.283867D+01
               161           162           163           164           165 
      1  -0.437037D+00  0.283867D+01  0.106471D+02  0.760434D-01 -0.367347D+01
      2   0.225366D+00  0.678866D+00  0.760434D-01 -0.967988D-03  0.400559D+00
      3   0.678866D+00 -0.606502D-01 -0.367347D+01  0.400559D+00  0.965941D+00
               166           167           168           169           170 
      1   0.211724D+01 -0.152932D+00 -0.302934D+00 -0.209369D+01  0.462090D+00
      2  -0.152932D+00 -0.725137D+00 -0.142981D+01  0.462090D+00 -0.596314D+00
      3  -0.302934D+00 -0.142981D+01 -0.115285D+00  0.680039D+00 -0.834034D+00
               171           172           173           174           175 
      1   0.680039D+00 -0.955858D+01 -0.616595D-01  0.183162D+01 -0.117224D+01
      2  -0.834034D+00 -0.616595D-01 -0.371828D+00 -0.552560D+00  0.132916D+00
      3  -0.701470D+01  0.183162D+01 -0.552560D+00 -0.246940D+01  0.109967D-01
               176           177           178           179           180 
      1   0.132916D+00  0.109967D-01  0.521457D+01 -0.442336D+00 -0.196646D+01
      2  -0.623415D+00 -0.658690D+00 -0.442336D+00 -0.845780D+00  0.380556D-01
      3  -0.658690D+00 -0.544325D+00 -0.196646D+01  0.380556D-01 -0.213738D+00
               181           182           183           184           185 
      1  -0.664953D+01  0.127229D+01 -0.111262D+00 -0.129726D+02 -0.150314D+01
      2   0.127229D+01 -0.922791D+01  0.116681D+01 -0.150314D+01  0.656922D+01
      3  -0.111262D+00  0.116681D+01 -0.229836D+01 -0.118648D+01 -0.130875D+01
               186           187           188           189           190 
      1  -0.118648D+01  0.153022D+01  0.155250D-01 -0.402706D+01 -0.427632D+02
      2  -0.130875D+01  0.155250D-01 -0.195754D+01 -0.209925D+01 -0.451740D+01
      3  -0.100805D+01 -0.402706D+01 -0.209925D+01 -0.149546D+00 -0.176718D+01
               191           192           193           194           195 
      1  -0.451740D+01 -0.176718D+01  0.744216D+00 -0.326782D+01 -0.234701D+00
      2  -0.976746D+01  0.415233D+00 -0.326782D+01 -0.121510D+02  0.126209D+01
      3   0.415233D+00 -0.312715D+01 -0.234701D+00  0.126209D+01  0.285263D+00
               196           197           198           199           200 
      1  -0.248300D+01 -0.744100D+00 -0.698463D+01  0.411283D+02  0.850014D+01
      2  -0.744100D+00  0.451592D+00 -0.448427D+00  0.850014D+01  0.775958D+01
      3  -0.698463D+01 -0.448427D+00 -0.128151D+01  0.180729D+01 -0.665255D+00
               201           202           203           204           205 
      1   0.180729D+01  0.149242D+02  0.269548D+01  0.647116D+00  0.171836D+01
      2  -0.665255D+00  0.269548D+01  0.499802D+01  0.338745D+00  0.665067D-01
      3   0.720920D+00  0.647116D+00  0.338745D+00  0.208684D+01  0.427863D+00
               206           207           208           209           210 
      1   0.665067D-01  0.427863D+00  0.126111D+02  0.344767D+01  0.565692D+00
      2   0.105890D+01  0.416275D+01  0.344767D+01  0.294694D+01 -0.903426D-01
      3   0.416275D+01 -0.983682D+00  0.565692D+00 -0.903426D-01 -0.221310D+00
               211           212           213           214           215 
      1  -0.333897D+01 -0.300156D+01  0.122876D+00  0.147653D+01  0.519147D+00
      2  -0.300156D+01  0.155992D+01 -0.434943D+00  0.519147D+00  0.217868D+00
      3   0.122876D+00 -0.434943D+00 -0.833061D+00 -0.103535D+00  0.756920D+00
               216           217           218           219           220 
      1  -0.103535D+00 -0.753385D+00 -0.394770D+01  0.797410D-01 -0.428973D+01
      2   0.756920D+00 -0.394770D+01 -0.231982D-01 -0.613516D+00  0.302880D+01
      3  -0.139924D+00  0.797410D-01 -0.613516D+00  0.957130D+00 -0.847606D+00
               221           222           223           224           225 
      1   0.302880D+01 -0.847606D+00  0.131937D+00 -0.767910D+00  0.262816D+01
      2   0.141654D+01  0.113764D+01 -0.767910D+00  0.786614D+00  0.410514D+01
      3   0.113764D+01  0.555626D+01  0.262816D+01  0.410514D+01 -0.111824D+01
               226           227           228           229           230 
      1   0.359233D+00 -0.136823D+01  0.172710D+00 -0.461799D+00  0.863954D-01
      2  -0.136823D+01  0.147120D+01 -0.276792D+00  0.863954D-01 -0.102346D+02
      3   0.172710D+00 -0.276792D+00  0.174817D+00  0.871623D-02  0.103736D+01
               231           232           233           234           235 
      1   0.871623D-02  0.742249D-01 -0.150821D+00 -0.545243D-01 -0.765921D+01
      2   0.103736D+01 -0.150821D+00  0.116656D+01 -0.341021D+00 -0.347626D+01
      3  -0.103297D+01 -0.545243D-01 -0.341021D+00  0.173120D+00 -0.220986D+00
               236           237           238           239           240 
      1  -0.347626D+01 -0.220986D+00 -0.521250D+01 -0.436037D+01  0.150042D+00
      2  -0.275856D+01  0.166486D-02 -0.436037D+01 -0.430559D+01  0.357452D-01
      3   0.166486D-02 -0.452760D+00  0.150042D+00  0.357452D-01 -0.624494D+00
               241           242           243           244           245 
      1  -0.149909D+00  0.227608D+00  0.332592D+00 -0.730506D+00  0.220269D+01
      2   0.227608D+00  0.177199D+00 -0.215978D+00  0.220269D+01 -0.160820D+01
      3   0.332592D+00 -0.215978D+00  0.134051D+00 -0.254873D+00  0.325062D+00
               246           247           248           249           250 
      1  -0.254873D+00  0.258190D+01 -0.319713D+01  0.424638D+00 -0.297726D+00
      2   0.325062D+00 -0.319713D+01  0.868707D+01 -0.101914D+01  0.507658D+00
      3  -0.287737D+00  0.424638D+00 -0.101914D+01  0.112269D+01 -0.335648D+00
               251           252           253           254           255 
      1   0.507658D+00 -0.335648D+00 -0.888395D+00 -0.448158D+00  0.172687D+01
      2  -0.104331D+01  0.323826D+00 -0.448158D+00 -0.115525D+00  0.467347D+00
      3   0.323826D+00 -0.216234D+00  0.172687D+01  0.467347D+00 -0.450301D+00
               256           257           258           259           260 
      1  -0.179951D+01 -0.186430D+01  0.126469D+01  0.506082D+01  0.150622D+01
      2  -0.186430D+01 -0.203006D+01  0.152771D+01  0.150622D+01  0.167797D+01
      3   0.126469D+01  0.152771D+01 -0.234729D+01 -0.306135D+01 -0.227282D+01
               261           262           263           264           265 
      1  -0.306135D+01  0.181862D+00 -0.442269D+00 -0.115028D+01 -0.230374D+01
      2  -0.227282D+01 -0.442269D+00  0.815734D-01 -0.136839D+00 -0.215394D+01
      3   0.526259D+01 -0.115028D+01 -0.136839D+00  0.808417D-01 -0.131829D+01
               266           267           268           269           270 
      1  -0.215394D+01 -0.131829D+01 -0.372888D+01 -0.130686D+01 -0.256654D+01
      2  -0.329106D+01 -0.239151D+01 -0.130686D+01 -0.221218D+01 -0.273807D+01
      3  -0.239151D+01 -0.300280D+01 -0.256654D+01 -0.273807D+01 -0.441387D+01
               271           272           273           274           275 
      1  -0.126384D+02  0.319715D+01 -0.113619D+01  0.661603D+01 -0.267684D+01
      2   0.319715D+01 -0.148672D+01  0.307561D+00 -0.267684D+01  0.217864D+01
      3  -0.113619D+01  0.307561D+00 -0.116332D+01  0.576224D+00 -0.394239D+00
               276           277           278           279 
      1   0.576224D+00 -0.161347D+01  0.382544D+00 -0.188421D+01
      2  -0.394239D+00  0.382544D+00 -0.356021D+00  0.980860D-01
      3   0.456785D+00 -0.188421D+01  0.980860D-01 -0.414813D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.127698D+01 -0.344914D+01 -0.604575D-01 -0.311079D+01 -0.194968D+01
      2  -0.971201D+01  0.337124D+01 -0.377571D+00  0.139708D+02  0.296363D+01
      3  -0.834358D+01  0.417994D+02 -0.493538D+01  0.421697D+02  0.204009D+02
                 6             7             8             9            10 
      1  -0.243390D+00  0.397319D+01  0.773976D+01 -0.576911D+00 -0.163748D+01
      2   0.469099D-03 -0.206150D+02 -0.163225D+01 -0.157851D+01  0.117097D+02
      3   0.317238D+00 -0.193504D+01  0.154092D+01 -0.226202D+01  0.166847D+02
                11            12            13            14            15 
      1  -0.484385D+01  0.783955D-01 -0.367077D+01  0.721341D+00  0.344936D+00
      2   0.662166D+01 -0.369404D+01 -0.832388D+01  0.724786D+00 -0.622900D+00
      3   0.516375D+02 -0.404194D+01  0.544689D+02  0.178178D+02  0.241033D+01
                16            17            18            19            20 
      1   0.237039D+01  0.673499D+01 -0.979008D+00 -0.241984D+01  0.528391D+00
      2  -0.180234D+02  0.199182D+00 -0.136837D+01  0.179801D+02 -0.729754D+00
      3  -0.191833D+01  0.314484D+01  0.997718D+00  0.234503D+02 -0.310038D+02
                21            22            23            24            25 
      1  -0.982063D+00  0.117093D+01 -0.194594D+01 -0.270385D+01  0.310787D+01
      2  -0.417790D+00  0.311866D+01  0.214906D+00 -0.186354D+01 -0.191551D+02
      3   0.482370D+01  0.934510D+01  0.246009D+01  0.576336D+00  0.215299D+01
                26            27            28            29            30 
      1  -0.653775D+00 -0.136375D+01 -0.154533D+01 -0.593245D+00  0.216637D+00
      2  -0.699535D+01  0.417788D+00 -0.143283D+02 -0.219273D+00  0.164083D+01
      3  -0.169629D+01  0.455604D+01 -0.323974D+00  0.588989D+01 -0.108943D+01
                31            32            33            34            35 
      1  -0.414229D+01  0.542102D+01  0.178487D+01  0.238078D+01  0.125872D+02
      2   0.211855D+01 -0.143737D+00  0.153741D+01 -0.129782D+02 -0.196867D+01
      3   0.269247D+02  0.833925D+01 -0.700194D+00 -0.276171D+00  0.624577D+00
                36            37            38            39            40 
      1  -0.975164D+00 -0.125209D+01  0.162844D+01 -0.456025D+01 -0.454838D+00
      2  -0.190942D+01  0.185424D+01  0.602064D+00  0.233474D+01 -0.513139D+01
      3  -0.252068D+01  0.290947D+02  0.335074D+01  0.375977D+00 -0.103176D+02
                41            42            43            44            45 
      1  -0.180484D+01 -0.886714D-01 -0.149152D+02  0.891080D+01 -0.229484D+01
      2   0.528980D+00  0.502007D+00 -0.803982D+01  0.604600D+01 -0.143478D+01
      3  -0.207580D+00  0.759022D+00  0.267829D+01  0.199912D+01  0.615733D+01
                46            47            48            49            50 
      1   0.373279D+01  0.152959D+01  0.393392D+01  0.203164D+01  0.914829D+00
      2  -0.223551D+01 -0.492564D+01  0.358872D+00 -0.317013D+01 -0.261408D+01
      3  -0.549758D+02 -0.365687D+02  0.903804D+00 -0.700488D+01 -0.210873D+02
                51            52            53            54            55 
      1  -0.295969D+01  0.629323D+01 -0.370633D+01  0.348276D+01  0.113819D+01
      2   0.838612D+00 -0.179867D+02  0.126672D+01 -0.177407D+01 -0.158600D+01
      3   0.662162D+00 -0.121569D+01 -0.204022D+01 -0.495816D+01 -0.307450D+02
                56            57            58            59            60 
      1   0.496149D+01  0.332219D+01 -0.274973D-01  0.972816D+00 -0.267479D+01
      2  -0.431920D+01 -0.442751D+01 -0.179431D+01 -0.584142D+00  0.377331D+01
      3  -0.353800D+02  0.330127D+01 -0.521528D+00 -0.228652D+02  0.830674D+00
                61            62            63            64            65 
      1   0.387694D+01 -0.363141D+01  0.140735D+01 -0.463099D+00 -0.140049D+00
      2  -0.213577D+02  0.602359D+01 -0.409118D+01  0.618664D-01  0.489057D+00
      3   0.995326D+00 -0.276089D+01 -0.920349D+01  0.464389D+00  0.583547D+00
                66            67            68            69            70 
      1   0.806122D+00  0.593546D+00 -0.199916D+01 -0.376717D+01  0.266980D+00
      2   0.127131D+00  0.914607D+00  0.151829D+00 -0.113326D+01 -0.143521D+01
      3   0.282234D-01  0.449801D+01  0.553429D+01 -0.652938D+00 -0.929832D-01
                71            72            73            74            75 
      1   0.250073D+01  0.442294D+00 -0.101014D+01  0.310667D+00 -0.302136D+01
      2   0.106939D+01 -0.305061D-01 -0.786249D+00 -0.725068D+00  0.241684D+01
      3  -0.504055D+00 -0.589201D+00  0.116033D+02  0.532797D-02  0.936830D+00
                76            77            78            79            80 
      1   0.135498D+01  0.823869D+00 -0.251031D+01  0.153963D+01  0.827784D+00
      2  -0.141466D+01 -0.893887D+00  0.246605D+01 -0.242588D+01  0.375122D+00
      3   0.174842D+01 -0.140968D+01 -0.312648D+00  0.246794D+01 -0.242449D+00
                81            82            83            84            85 
      1   0.138403D+00  0.756285D+00 -0.767897D+00  0.110579D+01 -0.319156D+00
      2  -0.330617D+00 -0.382155D+00  0.231451D-01  0.440064D+00  0.445279D+00
      3  -0.465476D+00 -0.441983D+01  0.222130D+01 -0.609980D+00  0.495911D+01
                86            87            88            89            90 
      1   0.248372D+01 -0.516994D+01 -0.128519D+01  0.172701D+01  0.320213D+00
      2  -0.391464D+00 -0.669610D+00 -0.383508D+00 -0.775638D+00  0.308967D+00
      3  -0.352588D+01  0.557945D+00 -0.123531D+01  0.120326D+01  0.903761D+00
                91            92            93            94            95 
      1  -0.195194D+01 -0.365636D+00 -0.119829D+01 -0.234952D+01  0.246510D+01
      2   0.114712D+02 -0.680434D+00 -0.809943D+01 -0.448605D+01 -0.299974D+01
      3   0.677677D+01 -0.567179D+01  0.162181D+01  0.926015D+01 -0.224596D+02
                96            97            98            99           100 
      1  -0.305888D+01 -0.461753D+01  0.329853D+01 -0.927551D+00  0.540871D+01
      2  -0.173946D+01 -0.352441D+02 -0.262506D+01  0.508976D+01  0.961490D+01
      3   0.510187D+01  0.391776D+01  0.304524D+01  0.614577D+01 -0.165427D+02
               101           102           103           104           105 
      1   0.406088D+00  0.673306D-01 -0.210703D+01 -0.116218D+02 -0.383382D+01
      2  -0.318608D+01  0.221821D+02 -0.170870D+01  0.108987D+01  0.895106D+01
      3  -0.152096D+01 -0.273026D+01  0.418556D+01  0.241926D+02  0.747773D+00
               106           107           108           109           110 
      1   0.202666D+01  0.196935D+01  0.678295D+01  0.478550D+01  0.266324D+01
      2   0.154131D+02  0.739819D+01 -0.119987D+02 -0.164173D+02  0.843837D-01
      3  -0.470483D+01 -0.283373D+00 -0.945477D+01  0.218766D+01  0.143009D+02
               111           112           113           114           115 
      1   0.655804D+01  0.115216D+02 -0.310337D+00 -0.152866D+02  0.529396D+01
      2   0.158523D+01  0.345842D+01 -0.142277D+01 -0.600037D+01  0.975876D+01
      3   0.380751D+00  0.176984D+02  0.116625D+02 -0.240018D+01 -0.452685D-01
               116           117           118           119           120 
      1  -0.501320D+01 -0.894721D-01 -0.517235D+00  0.447916D+00  0.139836D+00
      2  -0.206623D+01 -0.233003D+01  0.123090D+01  0.506888D+00  0.291721D+01
      3  -0.162348D+01 -0.277147D+01  0.707467D+01 -0.123007D+01 -0.103838D+00
               121           122           123           124           125 
      1   0.746666D+00 -0.414549D+01 -0.220179D+01  0.170360D+00  0.638740D+00
      2   0.117779D+01  0.164137D+01 -0.470755D+01  0.223949D+01 -0.293558D+01
      3  -0.111663D+01  0.243400D+02 -0.292760D+01  0.478950D+00 -0.236279D+01
               126           127           128           129           130 
      1   0.233325D+00 -0.309797D+01  0.347097D+01 -0.184229D+00  0.347171D+01
      2   0.139025D+01 -0.111717D+02  0.208430D+01  0.571412D+01  0.171418D+01
      3   0.282213D+01  0.834757D+01 -0.841627D+01  0.138654D+01 -0.687838D+01
               131           132           133           134           135 
      1  -0.746011D+00 -0.297626D+00 -0.104138D+01  0.744129D+00 -0.117674D+01
      2  -0.134728D+01 -0.342591D+01  0.234859D+01 -0.162016D+01 -0.968134D-01
      3   0.168066D+01 -0.161878D+01  0.137675D+01 -0.125315D+01  0.264024D+01
               136           137           138           139           140 
      1  -0.157700D+01 -0.234124D+01  0.702469D+00 -0.848964D+00 -0.662426D+00
      2   0.842498D+01  0.187645D+01 -0.143009D+02  0.158147D+01  0.480392D+01
      3   0.229377D+01  0.170652D+01 -0.763735D+00  0.160963D+01  0.430686D+00
               141           142           143           144           145 
      1   0.151762D+01  0.616009D-01  0.400474D+01 -0.288699D+01  0.305444D+01
      2  -0.708655D+01 -0.689035D+01 -0.397371D+01  0.312396D+02 -0.112310D+01
      3  -0.449749D+01  0.429192D+00 -0.311788D+01  0.393249D+01 -0.542219D+01
               146           147           148           149           150 
      1   0.635943D+00  0.426544D+00  0.103592D+01  0.144759D+02 -0.104638D+01
      2  -0.119554D+01 -0.106429D+01 -0.587564D+00  0.210725D+01  0.548409D+01
      3  -0.137359D+01 -0.104456D+01 -0.352885D+00 -0.284018D+02 -0.345844D+01
               151           152           153           154           155 
      1   0.820644D+00  0.652321D+00  0.167215D+01 -0.422953D+01 -0.295882D+01
      2  -0.129911D+01  0.246609D+01  0.108685D+01  0.847935D+01  0.142033D+01
      3  -0.256113D+01  0.338639D+00 -0.339995D+01 -0.129351D+02 -0.225846D+02
               156           157           158           159           160 
      1  -0.247643D+01 -0.797043D+01 -0.249627D+01  0.302176D+00 -0.425224D+00
      2   0.223847D+02 -0.331457D+01  0.174988D+01  0.741871D+01  0.872380D+01
      3  -0.199800D+00 -0.162609D+02 -0.137598D+02  0.184377D+01  0.109246D+01
               161           162           163           164           165 
      1   0.350846D+01 -0.101084D+01 -0.515724D+01 -0.141741D+01 -0.403939D+00
      2   0.311230D+01  0.966198D+00  0.886031D+01  0.248394D+01  0.128157D+01
      3   0.219601D+01 -0.367431D+01 -0.789432D+01 -0.408867D+01  0.647700D+00
               166           167           168           169           170 
      1  -0.386466D+01  0.150767D+01  0.414183D+01  0.243091D+01  0.791325D+01
      2   0.342844D+01 -0.575373D+01  0.932803D+00 -0.801195D+01 -0.267272D+01
      3  -0.729751D+00  0.211537D+01  0.680764D+01  0.526280D+00  0.267761D+01
               171           172           173           174           175 
      1  -0.330410D+01  0.501683D+01  0.140094D+01 -0.185634D+01  0.431398D+01
      2  -0.239116D+02 -0.196180D+02 -0.240785D+01 -0.500884D+01 -0.338401D+01
      3   0.334066D+01  0.894028D+01  0.218335D+01 -0.467272D-01  0.546070D+01
               176           177           178           179           180 
      1  -0.445942D+00 -0.219772D+01 -0.241230D+01 -0.340879D+00  0.100270D+01
      2  -0.244552D+01 -0.155208D+01 -0.251853D+00 -0.252172D+00 -0.229143D+01
      3   0.944796D+00  0.112703D+01 -0.296108D+01 -0.355222D+00  0.139047D+01
               181           182           183           184           185 
      1   0.414642D+00 -0.347499D+01 -0.430413D+01 -0.352815D+00  0.150742D+01
      2   0.259796D+01  0.667044D+00  0.765704D+01  0.103594D+01  0.203739D+01
      3   0.156456D+02  0.598815D+01 -0.679467D+00 -0.123763D+02  0.593823D+01
               186           187           188           189           190 
      1  -0.135991D+01 -0.120171D+02  0.732895D+01 -0.244863D+01 -0.175067D+01
      2   0.230344D+01 -0.245262D+01  0.101227D+02 -0.308473D-01  0.117277D+02
      3  -0.172015D+01  0.193081D+01 -0.413963D+00  0.924176D+00  0.178497D+02
               191           192           193           194           195 
      1  -0.457362D+01  0.163674D+01 -0.394545D+01 -0.120862D+01  0.293714D+01
      2   0.372832D+01  0.131283D+00  0.459260D+01  0.130898D+01 -0.390542D-01
      3   0.209439D+02 -0.640631D+00  0.386217D+02  0.551893D+01  0.244727D+01
               196           197           198           199           200 
      1   0.489017D+00  0.118895D+02 -0.145711D+01  0.813688D-01  0.475334D+01
      2   0.259384D+01 -0.406133D+01  0.221734D+01 -0.828290D+01 -0.516635D+01
      3  -0.314477D+01  0.270106D+01 -0.131959D+01  0.390048D+01 -0.421217D+02
               201           202           203           204           205 
      1  -0.826103D+00  0.117773D+01  0.172444D+01 -0.283208D+01  0.450986D+01
      2   0.236804D+01 -0.550159D+01 -0.374335D+01 -0.379327D+01 -0.207047D+02
      3   0.363148D+01 -0.208425D+01 -0.933690D+01  0.186491D+01  0.239958D+01
               206           207           208           209           210 
      1   0.172036D+01  0.887518D+00  0.127550D+01  0.374435D+01 -0.131864D+01
      2  -0.152580D+02  0.155128D+01 -0.451145D+01 -0.323188D+01  0.143000D+02
      3  -0.646625D-01  0.856635D+01 -0.688763D+01 -0.378473D+02  0.155892D+01
               211           212           213           214           215 
      1  -0.486333D+00 -0.145715D+01 -0.415348D+01 -0.248252D+01 -0.864803D+00
      2   0.307351D-01  0.256270D+01  0.382744D+01 -0.545040D+01 -0.187152D+01
      3   0.479076D+00  0.150267D+02 -0.192691D+01 -0.616996D+00 -0.441847D+01
               216           217           218           219           220 
      1   0.144370D+00  0.633503D+00 -0.149571D+01  0.129734D+01 -0.992798D+00
      2   0.880013D+00 -0.243077D+00  0.417455D+01 -0.625327D+01  0.461962D+01
      3   0.341017D+01 -0.277551D+02  0.138790D+02 -0.552132D+01  0.289366D+02
               221           222           223           224           225 
      1  -0.588714D+00  0.195670D+01  0.912483D+01  0.459355D+01 -0.149852D+01
      2  -0.545089D+01 -0.357278D+02 -0.216957D+02 -0.268479D+02  0.760882D+01
      3   0.195757D+02  0.737896D+01 -0.494363D+01  0.565783D+01  0.277048D+02
               226           227           228           229           230 
      1   0.167287D+00 -0.278857D+00  0.994080D+00 -0.418997D-02 -0.726032D+00
      2  -0.755769D+00  0.852240D+00 -0.211879D-01  0.472622D+00 -0.213552D+01
      3  -0.623891D+01  0.434048D+01 -0.102182D+01  0.415827D+01 -0.206949D+02
               231           232           233           234           235 
      1  -0.458666D+01 -0.348182D+00  0.256641D+01  0.191616D+00 -0.105730D+01
      2   0.124740D+01 -0.421782D-01  0.294584D-02 -0.555232D-01  0.218721D+01
      3   0.220252D+01 -0.118401D+01  0.300909D+01 -0.889212D-01  0.394600D+01
               236           237           238           239           240 
      1  -0.385679D+00 -0.189174D+01 -0.378922D-01 -0.190320D+00 -0.235419D+01
      2   0.393109D+00  0.246745D+01 -0.301881D-01  0.213285D+00  0.327098D+01
      3  -0.544096D+01  0.612052D+00 -0.532605D+01 -0.106151D+02  0.624916D-01
               241           242           243           244           245 
      1   0.216858D+01  0.803843D+00  0.235182D+00  0.182965D+00 -0.333194D+00
      2  -0.293982D+01  0.403600D+00 -0.616396D+00  0.544957D+00 -0.692948D+00
      3   0.161904D+01  0.527374D+00 -0.126347D+01  0.342095D+01 -0.231853D+01
               246           247           248           249           250 
      1   0.989265D+00 -0.275379D+00  0.129513D-01 -0.396529D+01  0.138159D+00
      2   0.110919D+01 -0.650011D+00  0.256003D+01 -0.339066D+01 -0.141764D+01
      3   0.508785D+00 -0.152486D+01  0.206841D+02 -0.221196D+01  0.746505D+00
               251           252           253           254           255 
      1   0.173356D+01  0.338151D+00 -0.177205D+00  0.182954D+00 -0.120135D+00
      2  -0.205125D+00  0.410515D+00 -0.109773D+02 -0.269929D+01  0.327952D+01
      3  -0.216032D+01  0.388256D+00 -0.426130D+01 -0.238996D+01  0.236281D+01
               256           257           258           259           260 
      1   0.972557D+00  0.708712D+00 -0.233864D+01 -0.251387D+01  0.864512D+00
      2  -0.629074D+01 -0.930468D+01  0.147714D+02  0.152171D+02  0.144764D+02
      3  -0.100162D+02 -0.158048D+02  0.981185D+01  0.772189D+01  0.124999D+02
               261           262           263           264           265 
      1   0.398854D+01  0.976254D+00 -0.207992D-01  0.632499D+00 -0.417532D-01
      2  -0.321784D+02  0.740644D+01  0.183060D+00 -0.213597D+00  0.500235D+01
      3  -0.150047D+02 -0.434039D+01 -0.751240D+00 -0.157468D+00 -0.112099D+02
               266           267           268           269           270 
      1   0.122242D+01 -0.198676D+01 -0.109264D+01  0.163859D+01 -0.221381D+01
      2   0.128320D+02  0.176691D+02  0.110095D+02  0.161402D+02  0.249775D+02
      3  -0.238430D+02 -0.146791D+02 -0.642512D+01 -0.152807D+02 -0.174287D+02
               271           272           273           274           275 
      1  -0.105716D+01  0.775793D+00  0.296925D+00  0.796377D+00 -0.765383D+00
      2   0.379390D+01 -0.128060D+01  0.874686D+01 -0.189426D+01  0.173997D+01
      3   0.223906D+02 -0.133399D+02  0.240146D+01 -0.168266D+02  0.143719D+02
               276           277           278           279 
      1  -0.931924D+00 -0.877946D+00  0.531191D+00  0.401492D-01
      2  -0.324221D+01  0.951970D+01 -0.364161D+00  0.207050D+01
      3  -0.259155D+01  0.272659D+01 -0.258752D+01  0.524656D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.952190D+02 -0.434654D+02 -0.103310D+01  0.925410D+02 -0.921172D+01
      2   0.503272D+02  0.261485D+02  0.581822D+00 -0.417822D+02  0.120309D+02
      3   0.448917D+02  0.173169D+02  0.451283D+00 -0.507588D+02 -0.281915D+01
      4  -0.334538D+02  0.728082D+01 -0.311064D+01 -0.367816D+01  0.109628D+02
      5   0.354108D+01 -0.297688D+01 -0.363946D+00 -0.468866D+01 -0.350544D+01
      6  -0.264460D+00  0.138888D+01 -0.258815D+00 -0.405866D+01 -0.318676D+01
                 6             7             8             9            10 
      1   0.641939D+01 -0.178166D+02 -0.343502D+01 -0.122428D+02  0.613457D+02
      2  -0.448440D+01  0.791752D+01  0.142048D+01 -0.302187D+00 -0.158155D+02
      3  -0.193499D+01  0.989913D+01  0.201454D+01  0.125450D+02 -0.455302D+02
      4  -0.156043D+01 -0.211401D+01 -0.499644D+00  0.391337D+00 -0.446733D+01
      5  -0.876377D+00  0.134951D+01  0.189670D+01 -0.173541D+01  0.103087D+01
      6  -0.181598D+00 -0.272656D+01  0.327770D+01  0.434640D+00 -0.576036D+01
                11            12            13            14            15 
      1  -0.160119D+02  0.776101D+01 -0.114497D+03 -0.231306D+02 -0.645786D+01
      2   0.132047D+02 -0.264038D+01  0.516689D+02  0.193950D+02  0.111376D+01
      3   0.280721D+01 -0.512063D+01  0.628282D+02  0.373554D+01  0.534410D+01
      4   0.349009D+01 -0.131864D+01 -0.185008D+02 -0.143707D+02  0.176692D+00
      5  -0.380981D+01 -0.735624D+01  0.629382D+01  0.201659D+01  0.590591D-01
      6  -0.116893D+01 -0.866872D+00  0.266927D+01  0.633864D+00 -0.101695D+01
                16            17            18            19            20 
      1   0.181872D+02  0.319935D+00 -0.731562D+01  0.671830D+02  0.445946D+02
      2  -0.649266D+01 -0.900310D+00 -0.211858D+01 -0.319815D+02 -0.293214D+02
      3  -0.116945D+02  0.580374D+00  0.943419D+01 -0.352014D+02 -0.152731D+02
      4   0.188044D+01  0.107253D+01 -0.231501D+01  0.344127D+02 -0.112587D+02
      5  -0.101341D-01 -0.213491D+01 -0.181360D+01 -0.782550D+01  0.194559D+01
      6  -0.186734D+01  0.326216D+01  0.162215D+01 -0.216490D+01 -0.474187D+01
                21            22            23            24            25 
      1   0.293310D+01 -0.119459D+02  0.197783D+02 -0.190462D+01  0.801242D+01
      2  -0.220615D+00  0.185898D+02 -0.250640D+02  0.454271D+01 -0.469869D+01
      3  -0.271248D+01 -0.664392D+01  0.528570D+01 -0.263809D+01 -0.331373D+01
      4   0.300001D+01  0.137467D+02  0.198252D+01 -0.134215D+01  0.354196D+01
      5  -0.524208D+01 -0.249580D+01 -0.273644D+01 -0.672936D+01  0.807847D+01
      6   0.139145D+01 -0.405812D+01  0.408869D+01  0.469523D+01 -0.929745D+00
                26            27            28            29            30 
      1   0.436819D+01 -0.129901D+02 -0.122256D+01 -0.167681D+01 -0.314344D+01
      2   0.297306D+01 -0.112402D+01 -0.176290D+02  0.185868D+01 -0.135046D+00
      3  -0.734125D+01  0.141141D+02  0.188516D+02 -0.181874D+00  0.327848D+01
      4  -0.327344D+01 -0.452983D+01 -0.164495D+02  0.106351D+02 -0.344603D+00
      5  -0.834810D+01 -0.636205D+00  0.108847D+02  0.219027D+01  0.982747D+01
      6   0.123489D+02 -0.253856D+01  0.571592D+01  0.241267D+01 -0.234287D+01
                31            32            33            34            35 
      1  -0.493931D+02 -0.584029D+02  0.451511D+01 -0.354216D+00  0.410370D+01
      2   0.400035D+02  0.508932D+02 -0.561451D+01 -0.511407D+01 -0.519060D+01
      3   0.938959D+01  0.750970D+01  0.109939D+01  0.546828D+01  0.108690D+01
      4  -0.315389D+02  0.485265D+01 -0.187817D+01  0.502671D+01 -0.244956D+00
      5   0.525848D+01 -0.160344D+01  0.287148D+01  0.306439D+02  0.445219D+01
      6  -0.458585D+01  0.159241D+01 -0.395648D+01 -0.360951D+01  0.270726D+01
                36            37            38            39            40 
      1  -0.989566D+00 -0.186470D+02 -0.540967D+02  0.250619D+01  0.399051D+02
      2  -0.972501D+01  0.956640D+01  0.412232D+02 -0.171089D+01 -0.402692D+02
      3   0.107146D+02  0.908056D+01  0.128736D+02 -0.795291D+00  0.364124D+00
      4  -0.141667D+01 -0.128131D+02 -0.297389D+01 -0.105764D+01  0.101238D+02
      5   0.114408D+01  0.119348D+01 -0.394690D+01  0.635257D+01  0.348857D+01
      6   0.210895D+01 -0.361427D+01  0.252329D+01  0.748059D+01  0.801461D+01
                41            42            43            44            45 
      1   0.363418D+02 -0.380127D+01 -0.890785D+01 -0.115111D+02 -0.919706D+01
      2  -0.334376D+02  0.126864D+01  0.748098D+01  0.805269D+01 -0.147343D+01
      3  -0.290421D+01  0.253263D+01  0.142687D+01  0.345843D+01  0.106705D+02
      4  -0.171574D+02  0.374002D+01 -0.249044D+01  0.270861D+01  0.788660D+01
      5   0.526012D+01  0.519244D+01  0.165453D+02  0.448872D+01  0.420449D+00
      6  -0.102028D+01  0.216847D+01  0.180525D+02  0.732971D+01  0.497423D+01
                46            47            48            49            50 
      1   0.322600D+02  0.421774D+02  0.997768D+00 -0.672830D+01  0.601473D+01
      2  -0.247228D+02 -0.328481D+02 -0.304066D+00  0.456414D+01 -0.162010D+02
      3  -0.753717D+01 -0.932935D+01 -0.693702D+00  0.216416D+01  0.101862D+02
      4   0.665610D+01 -0.829985D+01  0.161282D+01  0.875064D+01  0.790409D+01
      5  -0.439122D+01  0.421113D+01 -0.167818D+01 -0.264993D+00 -0.173810D+00
      6   0.407202D+01 -0.497847D+01 -0.496855D+01 -0.546841D-01  0.683980D+01
                51            52            53            54            55 
      1  -0.418268D+01  0.578422D+01 -0.102917D+01 -0.205589D+02  0.227286D+02
      2   0.426422D+01 -0.481690D+01  0.405379D+01  0.964578D+01 -0.201842D+02
      3  -0.815402D-01 -0.967317D+00 -0.302462D+01  0.109131D+02 -0.254436D+01
      4  -0.807990D+00  0.371174D+00 -0.415026D+01 -0.193018D+01  0.268064D+02
      5  -0.849226D-01  0.366123D+01  0.949057D+00 -0.242864D+01  0.194107D+01
      6   0.675062D+01 -0.425008D+01  0.213022D+02 -0.245246D+01  0.329013D+01
                56            57            58            59            60 
      1   0.533523D+02 -0.145566D+01  0.819246D+01  0.237852D+02 -0.449902D+01
      2  -0.358272D+02  0.586573D-01 -0.217769D+01 -0.245643D+02  0.531867D+01
      3  -0.175251D+02  0.139700D+01 -0.601477D+01  0.779119D+00 -0.819644D+00
      4  -0.402585D+02  0.469958D+01  0.266289D+02  0.119379D+02  0.187496D+01
      5   0.595387D+01 -0.996545D+01 -0.275884D+01  0.137952D+01  0.546955D+01
      6  -0.149913D+01 -0.544081D+01 -0.194384D+00  0.598694D+01  0.606986D+01
                61            62            63            64            65 
      1   0.230991D+01 -0.152034D+01 -0.192118D+02 -0.137562D+01  0.268928D+01
      2  -0.208302D+01  0.651952D+01  0.703484D+01  0.406409D+01 -0.389230D+01
      3  -0.226890D+00 -0.499918D+01  0.121770D+02 -0.268848D+01  0.120302D+01
      4  -0.187632D+01 -0.377087D+01  0.124414D+02 -0.498684D+01  0.952882D+01
      5   0.235047D+01  0.149994D+02 -0.679896D+01  0.111692D+01 -0.176730D+01
      6   0.848442D+00  0.206262D+02 -0.410379D+01 -0.197027D+01  0.172737D+01
                66            67            68            69            70 
      1  -0.430066D+00  0.738153D+01 -0.320711D+02  0.476244D+01 -0.306900D+00
      2   0.285627D+00 -0.995327D+01  0.387338D+02 -0.352950D+01  0.403224D+00
      3   0.144439D+00  0.257174D+01 -0.666270D+01 -0.123294D+01 -0.963248D-01
      4  -0.136044D+01  0.101219D+02 -0.182561D+02  0.227803D+01 -0.158555D+01
      5   0.140226D+01 -0.177240D+01  0.149888D+01 -0.215048D+01  0.350299D+00
      6  -0.106364D+01  0.279358D+01 -0.948715D+01  0.709731D+01 -0.201973D+01
                71            72            73            74            75 
      1   0.334497D+01 -0.389026D+01  0.115732D+02 -0.843642D+00  0.425355D+00
      2  -0.341268D+01  0.406354D+01 -0.313785D+00  0.794646D+01 -0.791064D+00
      3   0.677063D-01 -0.173285D+00 -0.112594D+02 -0.710282D+01  0.365708D+00
      4   0.273504D+01 -0.103963D+01  0.259967D+02  0.192016D+02 -0.588325D-02
      5   0.100576D-01  0.695323D+00  0.325420D+01  0.208069D+00  0.509211D+01
      6   0.378122D+01 -0.216507D+01  0.177984D+01  0.966747D+00  0.288834D+01
                76            77            78            79            80 
      1  -0.378718D+01 -0.882192D+01 -0.229695D+00  0.194855D+01  0.586180D+00
      2   0.134594D+02  0.185395D+02  0.119742D-01 -0.229732D+01 -0.987841D+00
      3  -0.967218D+01 -0.971762D+01  0.217721D+00  0.348770D+00  0.401661D+00
      4   0.256838D+02  0.255711D+02 -0.232036D+00 -0.133019D+01 -0.137835D+01
      5  -0.230775D+00  0.126072D+00  0.329349D+01  0.126136D+01  0.211812D+01
      6   0.924668D+00  0.156513D+01  0.436754D+01 -0.559824D+00  0.253114D+01
                81            82            83            84            85 
      1   0.767015D+00 -0.439884D+01  0.652473D+01 -0.127276D+01  0.315978D+01
      2   0.535354D+00  0.673049D+01 -0.881019D+01  0.113498D+01 -0.381812D+01
      3  -0.130237D+01 -0.233165D+01  0.228546D+01  0.137784D+00  0.658333D+00
      4   0.255832D+01 -0.291480D+01  0.110125D+02 -0.942162D+00  0.641565D+01
      5  -0.194702D+00 -0.345842D+00 -0.600681D-01  0.156488D+01 -0.146892D+00
      6  -0.518881D+00 -0.532306D+00  0.123356D+01 -0.154299D+01  0.144955D+00
                86            87            88            89            90 
      1  -0.527855D+02  0.514498D+01 -0.132081D+01  0.630297D+01 -0.316331D+01
      2   0.700610D+02 -0.563315D+01  0.129154D+01 -0.744462D+01  0.385027D+01
      3  -0.172755D+02  0.488167D+00  0.292750D-01  0.114166D+01 -0.686962D+00
      4  -0.848845D+01  0.475291D+00 -0.787723D+00  0.146002D+01 -0.170894D+01
      5  -0.185453D+01 -0.457926D+00  0.904752D+00 -0.114478D+01  0.540110D+00
      6  -0.420162D+01  0.817441D+01  0.584265D+00  0.430201D+01 -0.183981D+01
                91            92            93            94            95 
      1  -0.899597D+01 -0.664395D+01  0.931063D+01 -0.916431D+01  0.146564D+02
      2   0.165027D+02  0.640302D+01  0.576572D+00  0.114938D+02 -0.195975D+02
      3  -0.750674D+01  0.240934D+00 -0.988721D+01 -0.232951D+01  0.494113D+01
      4  -0.377790D+01  0.153884D+01 -0.397927D+01 -0.303823D+01  0.386383D+02
      5  -0.617768D-01 -0.558934D+01 -0.245808D+02 -0.190817D+02 -0.555707D+01
      6  -0.541455D+01 -0.167596D+01 -0.507488D+00 -0.332241D+00  0.955872D+01
                96            97            98            99           100 
      1  -0.110224D+02  0.477452D+01 -0.521895D+01 -0.247865D+02 -0.603176D+02
      2   0.128131D+02  0.459323D+01  0.534254D+01  0.185354D+02  0.333872D+02
      3  -0.179070D+01 -0.936775D+01 -0.123586D+00  0.625102D+01  0.269304D+02
      4  -0.541529D+01 -0.960432D+01 -0.409269D+01 -0.454273D+01  0.260168D+02
      5  -0.606818D+01 -0.576217D+02 -0.733283D+01 -0.290828D+01 -0.321881D+02
      6  -0.143560D+01 -0.219035D+00 -0.507763D+00 -0.465311D+01  0.124768D+02
               101           102           103           104           105 
      1   0.191417D+02 -0.309230D+02  0.346464D+02  0.814170D+00 -0.249895D+00
      2  -0.101626D+02  0.118850D+01 -0.256362D+02 -0.724910D+01 -0.108999D+02
      3  -0.897906D+01  0.297345D+02 -0.901017D+01  0.643493D+01  0.111498D+02
      4  -0.172474D+01  0.339979D+01 -0.456194D+01 -0.400467D+02 -0.163234D+01
      5   0.859471D+01  0.189710D+02  0.234280D+02 -0.492082D+00  0.189416D+02
      6  -0.409807D+00  0.368641D+00 -0.445169D+00 -0.174999D+02 -0.243167D+00
               106           107           108           109           110 
      1  -0.703785D+01 -0.296208D+01  0.375378D+02 -0.966225D+02 -0.132811D+02
      2  -0.127767D+02 -0.516870D+01 -0.111088D+02  0.428622D+02  0.221620D+01
      3   0.198146D+02  0.813078D+01 -0.264290D+02  0.537603D+02  0.110649D+02
      4   0.592617D+01  0.144890D+01  0.152168D+02 -0.198495D+02 -0.181178D+02
      5   0.393717D+02  0.148069D+02  0.115154D+02  0.145294D+02  0.629903D+01
      6   0.354488D+01  0.127145D+01  0.114627D+02  0.637121D+01  0.189750D+01
               111           112           113           114           115 
      1   0.496524D+01 -0.234354D+02 -0.110119D+02  0.566584D+01 -0.178149D+02
      2  -0.242829D+01  0.640062D+01  0.108242D+02 -0.269284D+01  0.135783D+02
      3  -0.253694D+01  0.170348D+02  0.187669D+00 -0.297301D+01  0.423657D+01
      4   0.390436D+01  0.107905D+01 -0.171685D+02 -0.245876D+00  0.599899D+01
      5  -0.680538D+01  0.125264D+02  0.152383D+01 -0.311847D+01  0.226583D+02
      6  -0.294702D+01  0.265500D+01  0.929904D+00  0.698309D+00  0.102469D+01
               116           117           118           119           120 
      1   0.525662D+01  0.222492D+02 -0.738491D+01 -0.692365D+01 -0.584051D+00
      2  -0.276703D+01 -0.540696D+01  0.891322D+01  0.273795D+01  0.263112D+00
      3  -0.248959D+01 -0.168422D+02 -0.152831D+01  0.418571D+01  0.320939D+00
      4  -0.106495D+01  0.187380D+01 -0.974927D+01  0.755459D+01 -0.798420D+00
      5   0.280609D+01 -0.919042D+01  0.225029D+00 -0.128443D+01  0.676297D+01
      6  -0.458029D+01 -0.255957D+01 -0.256256D+01  0.768049D+00 -0.175054D+00
               121           122           123           124           125 
      1  -0.847619D+01 -0.178248D+02  0.539853D+01 -0.158860D+01  0.223085D+01
      2   0.439311D-01  0.299519D+02 -0.426083D+01  0.110719D+01 -0.626807D+00
      3   0.843226D+01 -0.121271D+02 -0.113770D+01  0.481412D+00 -0.160405D+01
      4   0.160169D+02 -0.468801D+02  0.544604D+01 -0.627969D+00  0.424945D+01
      5  -0.827577D+00  0.517090D+01 -0.108311D+02  0.935393D+01 -0.620489D+01
      6   0.217697D+01 -0.108559D+02  0.617067D+01 -0.186381D+01  0.641252D+01
               126           127           128           129           130 
      1  -0.391489D+00  0.104359D+03 -0.136693D+02  0.196640D+02 -0.243298D+02
      2   0.474081D+00 -0.620384D+02  0.693825D+01 -0.164783D+02  0.140401D+02
      3  -0.825924D-01 -0.423208D+02  0.673107D+01 -0.318569D+01  0.102897D+02
      4  -0.659304D+01 -0.198469D+02  0.152378D+02 -0.369689D+01  0.209383D+02
      5   0.428118D+01  0.583579D+02 -0.656635D+01  0.267688D+02 -0.167079D+02
      6  -0.251799D+01 -0.784740D+01  0.602340D+01 -0.188266D+01  0.786813D+01
               131           132           133           134           135 
      1   0.120754D+02 -0.347934D+01  0.950435D+01 -0.585577D+00  0.799792D+01
      2  -0.472509D+01  0.518363D+01 -0.947198D+01  0.201767D+01 -0.832132D+01
      3  -0.735031D+01 -0.170429D+01 -0.323771D-01 -0.143209D+01  0.323403D+00
      4  -0.576421D+01  0.482211D+01 -0.294070D+01  0.152630D+01 -0.534021D+01
      5   0.735124D+01 -0.107245D+02  0.187049D+02 -0.537010D+01  0.937165D+01
      6  -0.205104D+01  0.320517D+01 -0.248541D+01  0.141104D+01 -0.241027D+01
               136           137           138           139           140 
      1  -0.792774D+01 -0.499061D+01  0.238198D+02 -0.680919D+01 -0.786646D+01
      2  -0.711186D+00  0.165268D+01  0.153054D+01  0.447766D+01  0.135568D+01
      3   0.863893D+01  0.333793D+01 -0.253504D+02  0.233153D+01  0.651078D+01
      4  -0.386155D+01 -0.297486D+01  0.118781D+01  0.108400D+01 -0.655313D+00
      5   0.163606D+01 -0.108400D+01 -0.112542D+02 -0.496939D+01  0.576802D+01
      6  -0.270426D+01 -0.364774D+01  0.225469D+01 -0.408353D+00 -0.286150D+01
               141           142           143           144           145 
      1   0.756950D+01  0.106669D+02  0.447426D+01 -0.417112D+02  0.897843D+01
      2   0.296973D+01 -0.323511D+01  0.159874D+01 -0.143275D+02 -0.224696D+01
      3  -0.105392D+02 -0.743177D+01 -0.607300D+01  0.560388D+02 -0.673147D+01
      4   0.795374D+01 -0.349305D+00  0.631770D+01 -0.767089D+01  0.750985D+01
      5  -0.111762D+02  0.444141D+01 -0.526988D+01  0.407677D+02  0.414063D+01
      6   0.943329D+01 -0.181030D+00  0.716246D+01 -0.750023D+01  0.262412D+01
               146           147           148           149           150 
      1   0.649597D+01  0.414475D+01  0.118369D+02 -0.495248D+01 -0.145191D+01
      2  -0.266089D+01 -0.200860D+00 -0.614209D+01  0.145655D+02 -0.284055D+01
      3  -0.383508D+01 -0.394389D+01 -0.569480D+01 -0.961305D+01  0.429247D+01
      4   0.712753D+01  0.988329D+00  0.150033D+02  0.517727D+02  0.910957D+01
      5   0.286477D+01 -0.507709D+00  0.112534D+02  0.932059D+01  0.135211D+02
      6   0.183862D+01  0.257973D+00  0.572736D+01  0.247793D+02  0.834658D+01
               151           152           153           154           155 
      1  -0.143667D+01 -0.156393D+01 -0.571840D+01  0.199263D+03  0.219696D+02
      2   0.218648D+01 -0.131088D+01  0.218595D+01 -0.953564D+02 -0.833900D+01
      3  -0.749804D+00  0.287481D+01  0.353245D+01 -0.103906D+03 -0.136306D+02
      4   0.959024D+00  0.923563D+00  0.543490D+01  0.220008D+02  0.357934D+02
      5  -0.142084D+01  0.545759D+01 -0.126844D+00 -0.363046D+02 -0.410506D+01
      6   0.117851D+01  0.484124D+01  0.249550D+01 -0.492782D+01 -0.538689D+01
               156           157           158           159           160 
      1  -0.796015D+01  0.322950D+02  0.334414D+02 -0.188343D+01 -0.121718D+02
      2   0.895979D+01 -0.140355D+02 -0.121745D+02  0.212665D+01  0.108421D+02
      3  -0.999640D+00 -0.182595D+02 -0.212670D+02 -0.243216D+00  0.132963D+01
      4  -0.125341D+01  0.471315D+02  0.249094D+02 -0.365810D+01 -0.331016D+01
      5   0.379611D+02 -0.881412D+01 -0.807275D+01  0.976465D+01  0.382717D+02
      6  -0.268634D+00 -0.920022D+01 -0.488294D+01  0.515118D+01  0.197559D+01
               161           162           163           164           165 
      1  -0.169515D+01  0.218821D+02  0.445231D+02  0.379092D+01 -0.148837D+02
      2   0.138209D+01 -0.156926D+02 -0.318937D+02 -0.131709D+01  0.911261D+01
      3   0.313059D+00 -0.618944D+01 -0.126294D+02 -0.247384D+01  0.577107D+01
      4  -0.252565D+01  0.518538D+01 -0.116783D+01  0.732430D+01  0.347202D+01
      5   0.696277D+01 -0.788028D+01 -0.314365D+02  0.140594D+01  0.183083D+02
      6   0.488043D+01 -0.177294D+01  0.312549D+00 -0.123605D+01 -0.885501D+00
               166           167           168           169           170 
      1   0.118416D+02 -0.912666D+01 -0.317847D+01  0.146090D+00 -0.299318D+01
      2  -0.615643D+01  0.369557D+01  0.233096D+01  0.241528D+01  0.777973D+00
      3  -0.568513D+01  0.543109D+01  0.847519D+00 -0.256137D+01  0.221521D+01
      4   0.339640D+01 -0.475007D+01 -0.109453D+02  0.451971D+01 -0.560383D+01
      5  -0.389921D+01 -0.103696D+02 -0.270445D+00  0.154117D+02 -0.622142D+01
      6  -0.769191D+00  0.460303D+01  0.120292D+02 -0.332973D+01  0.118434D+02
               171           172           173           174           175 
      1  -0.320076D+02 -0.461918D+02 -0.545230D+01 -0.530969D+01 -0.925415D+01
      2  -0.111161D+02  0.291765D+02  0.283122D+01 -0.440995D+01  0.556782D+01
      3   0.431237D+02  0.170153D+02  0.262108D+01  0.971964D+01  0.368633D+01
      4  -0.764985D+01  0.180031D+01 -0.435414D+01 -0.248671D+01  0.883805D+00
      5  -0.420723D+02  0.244744D+02 -0.105703D+01 -0.137361D+02  0.273176D+01
      6   0.929372D+01  0.490397D+00  0.379622D+01  0.349025D+01  0.395801D+00
               176           177           178           179           180 
      1  -0.540734D+01 -0.190566D+01  0.951417D+01 -0.453936D+00 -0.821557D+01
      2   0.383084D+01  0.620017D+00 -0.109562D+02  0.134866D+00  0.463505D+01
      3   0.157649D+01  0.128565D+01  0.144202D+01  0.319070D+00  0.358052D+01
      4  -0.197291D+01 -0.295464D+01 -0.151143D+01  0.444294D+00  0.722168D+00
      5  -0.213039D+01 -0.211991D+01 -0.114350D+02  0.294117D+00  0.364349D+01
      6   0.210291D+01  0.322488D+01  0.254330D+01  0.764124D+00  0.689698D-01
               181           182           183           184           185 
      1  -0.363120D+01 -0.524175D+02  0.327872D+01  0.919910D+02  0.264521D+02
      2   0.431726D+01  0.369948D+02 -0.657154D+00 -0.648396D+02 -0.236455D+02
      3  -0.686059D+00  0.154227D+02 -0.262157D+01 -0.271514D+02 -0.280652D+01
      4  -0.199570D+02  0.407946D+02 -0.649985D+01  0.133775D+02 -0.407416D+02
      5  -0.463471D+01 -0.846989D+01  0.163318D+02  0.596583D+01  0.779894D+01
      6  -0.391050D+01 -0.283737D+01  0.812041D+01  0.615273D+01  0.281758D+01
               186           187           188           189           190 
      1   0.340196D+01 -0.140255D+02 -0.848243D+01  0.412193D+01  0.156081D+03
      2  -0.222569D+01  0.127218D+02  0.688968D+01 -0.895890D+01 -0.792778D+02
      3  -0.117627D+01  0.130365D+01  0.159275D+01  0.483697D+01 -0.768034D+02
      4   0.796178D+01 -0.250326D+01  0.106548D+02  0.159974D+02 -0.142626D+01
      5   0.678411D+01  0.303865D+02  0.143521D+02 -0.250886D+01 -0.580105D+00
      6   0.290590D+01  0.156247D+02  0.762490D+01  0.266045D+01 -0.155612D+01
               191           192           193           194           195 
      1   0.190302D+02  0.782564D+01 -0.516527D+02 -0.244981D+02  0.139532D+01
      2  -0.860386D+01 -0.294090D+01  0.447186D+02  0.285264D+02 -0.305327D+01
      3  -0.104264D+02 -0.488474D+01  0.693405D+01 -0.402827D+01  0.165795D+01
      4   0.339576D+02 -0.302937D+01 -0.155819D+02  0.618090D+02 -0.816875D+01
      5  -0.283084D+01  0.196633D+01  0.357621D+01 -0.810246D+01 -0.216580D+00
      6  -0.227143D+01 -0.286661D+01 -0.693669D+01 -0.371359D+01 -0.324474D+01
               196           197           198           199           200 
      1   0.105427D+02  0.651097D+01  0.247860D+02 -0.116685D+03  0.680851D-01
      2  -0.809817D+01 -0.555000D+01 -0.221741D+02  0.448635D+02 -0.592947D+01
      3  -0.244457D+01 -0.960972D+00 -0.261192D+01  0.718220D+02  0.586139D+01
      4   0.733571D+01 -0.415820D+01 -0.160253D+01 -0.110251D+01 -0.355958D+02
      5   0.497941D+02  0.314138D+01  0.373595D+01 -0.212062D+01  0.820152D+01
      6  -0.210674D+01  0.321126D+01  0.166487D+01  0.693066D+01  0.208097D+00
               201           202           203           204           205 
      1  -0.703817D+01 -0.733657D+02 -0.249546D+01 -0.661181D+01  0.122541D-01
      2   0.352114D+01  0.444863D+02 -0.116872D+02  0.552919D+01 -0.225144D+01
      3   0.351703D+01  0.288794D+02  0.141826D+02  0.108262D+01  0.223918D+01
      4   0.610293D+01  0.194413D+01 -0.173359D+02 -0.165373D+01  0.199959D+01
      5   0.270109D+01 -0.228908D+01 -0.218915D+01 -0.869909D+01  0.371238D+00
      6   0.917766D+00 -0.998473D+00  0.588703D+01  0.455360D+01 -0.157159D+01
               206           207           208           209           210 
      1   0.570529D+00 -0.208413D+02 -0.238809D+02 -0.276724D+02 -0.286726D+01
      2   0.359403D+01  0.408364D+01  0.101272D+02  0.141765D+02 -0.723583D-01
      3  -0.416456D+01  0.167577D+02  0.137537D+02  0.134959D+02  0.293962D+01
      4  -0.741352D+01 -0.204849D+02 -0.224871D+02  0.104345D+02  0.365046D+00
      5  -0.227595D+02  0.302517D+01  0.117874D+01  0.699516D+00  0.279204D+02
      6   0.159549D+02 -0.104624D+01  0.266559D+00  0.203676D+01  0.282253D+01
               211           212           213           214           215 
      1   0.715350D+01  0.104498D+02 -0.159108D+01 -0.477992D+01 -0.259795D+01
      2  -0.896894D+01 -0.204705D+01  0.136541D+01  0.125018D+01  0.219958D+01
      3   0.181544D+01 -0.840271D+01  0.225665D+00  0.352974D+01  0.398376D+00
      4   0.340194D+02 -0.214385D+02  0.428593D+01 -0.349915D+01  0.146117D+01
      5  -0.401601D+01  0.267493D+01  0.630641D+01  0.984014D+01 -0.625030D+01
      6   0.167396D+01 -0.535272D+00  0.719458D+01 -0.366625D+01  0.480611D+01
               216           217           218           219           220 
      1  -0.562886D+00 -0.443020D+02  0.492367D+02 -0.562325D+01  0.549597D+02
      2  -0.247784D+00  0.251326D+02 -0.251796D+02  0.320143D+01 -0.253136D+02
      3   0.810670D+00  0.191694D+02 -0.240571D+02  0.242182D+01 -0.296461D+02
      4  -0.713236D+01  0.484051D+02 -0.109397D+02  0.794438D+01 -0.395936D+02
      5   0.380920D+01 -0.649093D+01  0.826121D+01 -0.184273D+02  0.118114D+02
      6  -0.154687D+01  0.286668D+01 -0.384007D+00 -0.267553D+01 -0.260158D+01
               221           222           223           224           225 
      1  -0.163652D+02  0.151937D+02 -0.646199D+01  0.125918D+02 -0.101821D+02
      2   0.930455D+01 -0.671932D+01  0.240377D+01 -0.603607D+01  0.646233D+01
      3   0.706063D+01 -0.847439D+01  0.405823D+01 -0.655576D+01  0.371973D+01
      4  -0.206999D+02 -0.126891D+02  0.103514D+02 -0.890137D+01 -0.473564D+02
      5  -0.118006D+02 -0.691521D+02 -0.325720D+02 -0.485952D+02  0.152951D+02
      6  -0.366649D+01 -0.129892D+02 -0.918836D+01 -0.964557D+01 -0.109562D+01
               226           227           228           229           230 
      1  -0.472257D+01  0.124458D+02 -0.194929D+01  0.262355D+01 -0.508377D+02
      2   0.590055D+01 -0.110719D+02  0.127117D+01 -0.110403D+01  0.646126D+02
      3  -0.117797D+01 -0.137389D+01  0.678121D+00 -0.151952D+01 -0.137749D+02
      4   0.268576D+01  0.506910D+01  0.574191D-02  0.446747D+01  0.271851D+02
      5  -0.562742D+00  0.197451D+00  0.793308D+00 -0.366075D+00 -0.519748D+01
      6  -0.106102D+01  0.190572D+01 -0.152323D+01 -0.190273D+00 -0.964331D+01
               231           232           233           234           235 
      1   0.556614D+01 -0.892105D+00  0.656279D+01 -0.299739D+01  0.478559D+02
      2  -0.515801D+01  0.598539D+00 -0.681488D+01  0.353155D+01 -0.175601D+02
      3  -0.408125D+00  0.293566D+00  0.252092D+00 -0.534159D+00 -0.302958D+02
      4  -0.305419D+01  0.101407D+00 -0.277301D+01 -0.581843D+00  0.377675D+02
      5   0.331278D+01  0.145093D+01  0.153168D+00 -0.133374D+00 -0.903423D+00
      6   0.824704D+01  0.103215D+00  0.439721D+01 -0.194808D+01  0.101383D+00
               236           237           238           239           240 
      1   0.162590D+02  0.146790D+01  0.232427D+02  0.114801D+02 -0.197438D+00
      2  -0.169272D+01 -0.649431D+00 -0.575490D+00  0.743698D+01  0.299613D+00
      3  -0.145663D+02 -0.818465D+00 -0.226672D+02 -0.189171D+02 -0.102175D+00
      4   0.273772D+02  0.703059D-01  0.410401D+02  0.390694D+02 -0.495863D+00
      5  -0.139174D+01  0.457257D+01 -0.314853D+01 -0.249328D+01  0.560917D+01
      6  -0.206283D+00  0.241496D+01 -0.121252D+01 -0.842940D+00  0.401977D+01
               241           242           243           244           245 
      1   0.162605D+01 -0.263228D+00 -0.686710D+00 -0.155508D+01 -0.566428D+01
      2  -0.164399D+01 -0.350269D+00  0.103282D+01  0.527055D+01 -0.141559D+01
      3   0.179415D-01  0.613497D+00 -0.346111D+00 -0.371546D+01  0.707988D+01
      4  -0.151515D+01 -0.145775D+01  0.270920D+01 -0.156724D+02  0.173181D+02
      5  -0.998579D+00  0.227955D+01 -0.699992D+00  0.127658D+01 -0.187883D+01
      6  -0.161690D+00  0.183195D+01 -0.452116D+00 -0.100590D+01  0.139072D+01
               246           247           248           249           250 
      1   0.214582D+00 -0.123006D+01 -0.206199D+02  0.244065D+01 -0.221989D+00
      2   0.182434D+00 -0.843924D+01  0.366696D+02 -0.296136D+01  0.671785D+00
      3  -0.397016D+00  0.966931D+01 -0.160497D+02  0.520715D+00 -0.449796D+00
      4  -0.264269D+01  0.241306D+02 -0.517440D+02  0.588964D+01 -0.345840D+01
      5   0.250886D+01 -0.194794D+01  0.342913D+01 -0.617855D+01  0.239215D+01
      6  -0.142259D+01  0.172721D+01 -0.503614D+01  0.707750D+01 -0.281141D+01
               251           252           253           254           255 
      1   0.152157D+01 -0.163365D+01  0.191295D+02  0.591546D+01 -0.183465D+02
      2  -0.301503D+01  0.314651D+01 -0.103062D+02 -0.278067D+01  0.918122D+01
      3   0.149346D+01 -0.151286D+01 -0.882326D+01 -0.313478D+01  0.916526D+01
      4   0.660917D+01 -0.270411D+01  0.732871D+01  0.521865D+01 -0.721289D+01
      5  -0.134629D+01  0.133017D+01 -0.215058D+02 -0.693733D+01  0.886294D+01
      6   0.365580D+01 -0.189463D+01 -0.304782D+01 -0.923882D+00  0.511418D+00
               256           257           258           259           260 
      1   0.180829D+02  0.111266D+02 -0.878802D+01 -0.488318D+02 -0.101705D+02
      2  -0.880653D+01 -0.350272D+01  0.353800D+01  0.279216D+02  0.502364D+01
      3  -0.927639D+01 -0.762387D+01  0.525002D+01  0.209102D+02  0.514684D+01
      4   0.255136D+02  0.254240D+02 -0.181206D+02 -0.199216D+02 -0.203678D+02
      5  -0.170234D+02 -0.187855D+02  0.292549D+02  0.407865D+02  0.273488D+02
      6  -0.326843D+01 -0.442591D+01  0.737573D+01  0.642533D+01  0.688895D+01
               261           262           263           264           265 
      1   0.153603D+02  0.602614D+01  0.660639D+01  0.151207D+02  0.210430D+02
      2  -0.144931D+02 -0.376009D+01 -0.326353D+01 -0.709273D+01 -0.107006D+02
      3  -0.867201D+00 -0.226605D+01 -0.334286D+01 -0.802799D+01 -0.103424D+02
      4   0.261837D+02  0.652750D+01  0.354717D+01  0.352602D+01  0.289941D+02
      5  -0.631104D+02  0.150883D+02  0.319632D+01  0.262535D+01  0.168584D+02
      6  -0.828728D+01  0.284978D+01  0.234247D+00 -0.328510D+00  0.609814D+01
               266           267           268           269           270 
      1   0.775802D+01  0.284392D+01  0.345740D+02  0.284457D+01  0.618694D+01
      2  -0.977390D+00 -0.194694D+01 -0.201770D+02 -0.255301D+01 -0.109936D+02
      3  -0.678063D+01 -0.896982D+00 -0.143970D+02 -0.291563D+00  0.480670D+01
      4   0.390078D+02  0.272238D+02  0.168620D+02  0.254788D+02  0.305383D+02
      5   0.266469D+02  0.352989D+02  0.327476D+02  0.308545D+02  0.486020D+02
      6   0.100665D+02  0.107585D+02  0.742623D+01  0.990873D+01  0.113342D+02
               271           272           273           274           275 
      1   0.167033D+03 -0.387645D+02  0.138812D+02 -0.761893D+02  0.303085D+02
      2  -0.859731D+02  0.194220D+02 -0.806585D+01  0.379284D+02 -0.136600D+02
      3  -0.810596D+02  0.193425D+02 -0.581535D+01  0.382610D+02 -0.166484D+02
      4  -0.458876D+02  0.234764D+02 -0.433318D+01  0.399456D+02 -0.295131D+02
      5   0.171050D+02 -0.426715D+01  0.177596D+02 -0.774296D+01  0.509840D+01
      6  -0.180357D+01  0.101595D+01 -0.951654D+00  0.191494D+01 -0.133460D+01
               276           277           278           279 
      1  -0.635385D+01  0.186179D+02 -0.457836D+01  0.189808D+02
      2   0.366589D+01 -0.110187D+02  0.267741D+01 -0.110572D+02
      3   0.268796D+01 -0.759912D+01  0.190094D+01 -0.792362D+01
      4   0.523948D+01 -0.544867D+01  0.458598D+01 -0.254004D+01
      5  -0.682553D+01  0.268742D+02 -0.235008D+01  0.568372D+01
      6   0.248866D+01 -0.174071D+01  0.281927D+01 -0.610314D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x         -0.230125D+01     -0.584919D+01     -0.195108D+02
   y         -0.769776D+00     -0.195658D+01     -0.652643D+01
   z          0.694496D+00      0.176523D+01      0.588819D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.285439D+03      0.422977D+02      0.470626D+02
   yx         0.118832D+02      0.176091D+01      0.195927D+01
   yy         0.155815D+03      0.230894D+02      0.256904D+02
   zx         0.111858D+02      0.165757D+01      0.184430D+01
   zy        -0.358322D+01     -0.530979D+00     -0.590794D+00
   zz         0.112258D+03      0.166350D+02      0.185089D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.196500D+03      0.291183D+02      0.323985D+02
   aniso      0.169385D+03      0.251002D+02      0.279278D+02
   xx         0.303944D+03      0.450398D+02      0.501136D+02
   yx         0.140431D+02      0.208097D+01      0.231539D+01
   yy         0.166421D+03      0.246610D+02      0.274391D+02
   zx         0.116225D+02      0.172227D+01      0.191629D+01
   zy        -0.379353D+01     -0.562144D+00     -0.625469D+00
   zz         0.119136D+03      0.176542D+02      0.196429D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.18474142         -0.64475023          1.73320729
     6         -0.89168385          1.80444316          1.39979716
     6          1.49703414         -1.78039585         -0.30401038
     6          1.76851855         -0.58177663         -2.58842635
     6          0.68214417          1.85281580         -2.90393461
     6         -0.60032492          3.00314937         -0.98211435
     6         -0.10164506         -1.84112192          4.09613034
     1          2.31690892         -3.63800916         -0.02324774
     1          0.86537182          2.79977219         -4.70865811
     1         -1.42189573          4.85698977         -1.25846649
     6          3.16471701         -1.81286822         -4.75873138
     6          5.47891994         -0.31809767         -5.62567105
     6          1.40379000         -2.39058838         -6.99041565
     1          3.79704348         -3.67520229         -4.10902174
     1          6.43428411         -1.29910205         -7.15995577
     1          6.78732661         -0.07662059         -4.05319479
     1          4.94146559          1.54635404         -6.31559915
     8          1.99870356         -2.21016006         -9.16669750
     8         -0.92231797         -3.24010679         -6.35189942
     1         -1.14704378         -3.11196919         -4.53815731
     6         -1.38137764         -0.70191089          6.04316764
     6         -2.44604284          1.72421561          5.70120588
     6         -2.19755682          2.94369699          3.41382433
     8         -3.73912645          2.97414797          7.53607968
     6         -4.05026501          1.80456196          9.92703246
     1          0.71002919         -3.70004532          4.37110321
     1         -1.56519707         -1.67205958          7.82825949
     1         -3.02459546          4.80010339          3.18624727
     1         -2.22952832          1.44384175         10.83590013
     1         -5.10323373          0.03301542          9.77182786
     1         -5.12482964          3.13365078         11.06673948

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252401D+01      0.641539D+01      0.213994D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.142035D+03      0.210475D+02      0.234185D+02
   yx        -0.213779D+02     -0.316788D+01     -0.352474D+01
   yy         0.149609D+03      0.221697D+02      0.246672D+02
   zx        -0.579816D+02     -0.859199D+01     -0.955988D+01
   zy         0.850039D+01      0.125963D+01      0.140153D+01
   zz         0.261868D+03      0.388049D+02      0.431763D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.196500D+03      0.291183D+02      0.323985D+02
   aniso      0.169385D+03      0.251002D+02      0.279278D+02
   xx         0.150532D+03      0.223066D+02      0.248194D+02
   yx        -0.224186D+02     -0.332210D+01     -0.369633D+01
   yy         0.159193D+03      0.235900D+02      0.262474D+02
   zx        -0.614737D+02     -0.910946D+01     -0.101356D+02
   zy         0.789428D+01      0.116981D+01      0.130159D+01
   zz         0.279775D+03      0.414584D+02      0.461287D+02

 ----------------------------------------------------------------------
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 TIME IS IN FACT THE HERO OF THE PLOT. THE TIME
 WITH WHICH WE HAVE TO DEAL IS OF THE ORDER OF TWO
 BILLION YEARS...GIVEN SO MUCH TIME, THE "IMPOSSIBLE"
 BECOMES POSSIBLE, THE POSSIBLE PROBABLE, THE PROBABLE
 VIRTUALLY CERTAIN.  ONE HAS ONLY TO WAIT, TIME
 ITSELF PERFORMS THE MIRACLES.
 "ORIGIN OF LIFE" LECTURES, GEORGE WALD, 1954
 Job cpu time:       0 days 22 hours 36 minutes 54.3 seconds.
 Elapsed time:       0 days  2 hours 49 minutes 40.3 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 00:46:47 2021.
